SCHEMBL2625762

SCHEMBL2625762

CC(C)N1CC(C)(C)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.50
SLC6A4 P31645 6/20 0.50
NOTUM Q6P988 3/20 0.50
CNR2 P34972 1/20 0.44
HTR2C P28335 1/20 0.40
P2RY1 P47900 1/20 0.35
BIRC2 Q13490 1/20 0.35
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Iodide SCHEMBL29267965 0.98 SLC6A2 (0.49) SLC6A2SLC6A4NOTUMCNR2HTR2C
SCHEMBL5848485 0.82 SLC6A2 (0.56) SLC6A2SLC6A4NOTUMCNR2HTR2C
SCHEMBL20250802 0.82 SLC6A2 (0.49) SLC6A2SLC6A4NOTUMCNR2HTR2C
SCHEMBL2625755 0.81 RARA (0.48) SLC6A2SLC6A4NOTUMCNR2HTR2C
SCHEMBL16684820 0.81 SLC6A2 (0.45) SLC6A2SLC6A4NOTUMCNR2HTR2C
SCHEMBL31467487 0.81 SLC6A2 (0.48) SLC6A2SLC6A4NOTUMCNR2HTR2C
SCHEMBL13209528 0.80 SLC6A2 (0.50) SLC6A2SLC6A4NOTUMCNR2HTR2C
SCHEMBL13209332 0.79 NOTUM (0.51) SLC6A2SLC6A4NOTUMP2RY1
SCHEMBL12715915 0.77 NOTUM (0.54) SLC6A2SLC6A4NOTUMCNR2HTR2C
SCHEMBL5539777 0.77 RARA (0.39) SLC6A2SLC6A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208967-A1 Pyrimidine or Pyridine Compounds, Preparation Method Therefor and Pharmaceutical Uses Thereof INVENTISBIO CO LTD (CN) 2024-06-27 US disclosed
US-11203589-B2 Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof InventisBio Co., Ltd. (CN) 2021-12-21 US disclosed
US-10385026-B2 Phthalazinones and isoquinolinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-20 US disclosed
US-20190152969-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF INVENTISBIO SHANGHAI LTD. (CN) 2019-05-23 US disclosed
US-10179784-B2 Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof INVENTISBIO SHANGHAI LTD. (CN) 2019-01-15 US disclosed
US-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-14 US disclosed
US-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-14 US disclosed
US-20180155296-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2018-06-07 US disclosed
US-9926282-B2 Phthalazinones and isoquinolinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-27 US disclosed
US-9902702-B2 Spirocycloheptanes as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 US disclosed
US-20150353505-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-12-10 US disclosed
US-20140206686-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-07-24 US disclosed
US-8586589-B2 Piperidine and piperazine phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-19 US disclosed
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-07 US disclosed
US-8309587-B2 Piperidine and piperazine phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-20120178713-A1 PHENYL SULPHONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-12 US disclosed
US-8163720-B2 Pyrrolidinyl phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-07 US disclosed
US-7799822-B2 Phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-21 US disclosed
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-01-31 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140206686-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 SLC6A2 2741/4885SLC6A4 2701/4885NOTUM 3227/4885
US-20120178713-A1 PHENYL SULPHONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, TRPA1, TRPV5 SLC6A2 278/4885SLC6A4 208/4885NOTUM 1926/4885
US-20190152969-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF EGFR, WEE1, DPYD SLC6A2 4083/4885SLC6A4 1871/4885NOTUM 63/4885
US-20240208967-A1 Pyrimidine or Pyridine Compounds, Preparation Method Therefor and Pharmaceutical Uses Thereof EGFR, WEE1, DPYD SLC6A2 4083/4885SLC6A4 1871/4885NOTUM 63/4885
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 SLC6A2 460/4885SLC6A4 351/4885NOTUM 3081/4885
US-11203589-B2 Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof EGFR, WEE1, TP53 SLC6A2 3534/4885SLC6A4 1356/4885NOTUM 92/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 SLC6A2 446/4885SLC6A4 252/4885NOTUM 2423/4885
US-20150353505-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 SLC6A2 2948/4885SLC6A4 2848/4885NOTUM 3190/4885
US-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 SLC6A2 2741/4885SLC6A4 2701/4885NOTUM 3227/4885
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels TRPV1, TRPV5, TRPA1 SLC6A2 993/4885SLC6A4 520/4885NOTUM 2777/4885
US-10385026-B2 Phthalazinones and isoquinolinones as rock inhibitors MYLK, MYLK2, ROCK1 SLC6A2 2741/4885SLC6A4 2701/4885NOTUM 3227/4885
US-20180155296-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK ROCK1, MYLK, ROCK2 SLC6A2 1324/4885SLC6A4 1820/4885NOTUM 2786/4885
US-10179784-B2 Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof EGFR, WEE1, DPYD SLC6A2 4083/4885SLC6A4 1871/4885NOTUM 63/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.