SCHEMBL11960323

SCHEMBL11960323

CC(C)c1cc(N2CCCC2)ncn1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ LRRK2 Q5S007 3/20 0.40
▸ ELOVL1 Q9BW60 5/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HRH4 Q9H3N8 5/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL13034784 0.98 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPC1TSHRRECQL
SCHEMBL11960308 0.86 HRH4 (0.53) TSHRCYP2C19HRH4HRH3ALDH1A1
SCHEMBL10223327 0.84 CYP2C19 (0.58) SMN1; SMN2RAB9ANPC1LRRK2ELOVL1
SCHEMBL16903679 0.83 LRRK2 (0.44) LRRK2CYP2C19
SCHEMBL11960332 0.82 LRRK2 (0.43) TSHRLRRK2CYP2C19HRH4HRH3
SCHEMBL11960320 0.82 LRRK2 (0.45) LRRK2CYP2C19HRH4HRH3
SCHEMBL25653338 0.79 LRRK2 (0.47) LRRK2HRH4HRH3ALDH1A1
SCHEMBL25653356 0.78 LRRK2 (0.49) LRRK2HRH4HRH3
SCHEMBL11960312 0.78 LRRK2 (0.48) SMN1; SMN2TSHRLRRK2CYP2C19
SCHEMBL19548104 0.78 SMN1; SMN2 (0.61) SMN1; SMN2RAB9ANPC1TSHRRECQL

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11396506-B2 Amino acid compounds with unbranched linkers and methods of use PLIANT THERAPEUTICS, INC. (US) 2022-07-26 — — US disclosed
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-05-12 — — US disclosed
US-11180494-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2021-11-23 — — US disclosed
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2020-04-09 — — US disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 — — US disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 — — US disclosed
US-9957271-B2 Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2018-05-01 — — US disclosed
US-9957271-B2 Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2018-05-01 — — US disclosed
US-9309240-B2 Pyrazolopyridine compounds, compositions and methods of use GENENTECH, INC. (US) 2016-04-12 — — US disclosed
US-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2014-11-27 — — US disclosed
US-20140288052-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2014-09-25 — — US disclosed
US-20140249147-A1 Substituted Bicyclic Aza-Heterocycles and Analogues as Sirtuin Modulators GlaxoSmithKline, LLC (US) 2014-09-04 — — US disclosed
US-20140206702-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2014-07-24 — — US disclosed
US-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 — — US disclosed
US-20130252941-A1 PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2013-09-26 — — US disclosed
US-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2013-04-18 — — US disclosed
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 — — US disclosed
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 — — 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-11396506-B2 Amino acid compounds with unbranched linkers and methods of use ITGA2B, ITGB6, ITGB1 SMN1; SMN2 1460/4885RAB9A 65/4885NPC1 3743/4885
US-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE TYK2, IRAK1, IRAK4 SMN1; SMN2 2126/4885RAB9A 3219/4885NPC1 4716/4885
US-20140206702-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE P2RX6, P2RY6, CYP2D6 SMN1; SMN2 1143/4885RAB9A 965/4885NPC1 3307/4885
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL SMN1; SMN2 2699/4885RAB9A 1018/4885NPC1 462/4885
US-20130252941-A1 PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE P2RX5, P2RX4, P2RY1 SMN1; SMN2 2102/4885RAB9A 1754/4885NPC1 1605/4885
US-20140288052-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SMN1; SMN2 2001/4885RAB9A 1062/4885NPC1 3941/4885
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL SMN1; SMN2 2699/4885RAB9A 1018/4885NPC1 462/4885
US-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SMN1; SMN2 2001/4885RAB9A 1062/4885NPC1 3941/4885
US-11180494-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 SMN1; SMN2 2223/4885RAB9A 1025/4885NPC1 470/4885
US-20140249147-A1 Substituted Bicyclic Aza-Heterocycles and Analogues as Sirtuin Modulators SIRT1, SIRT3, SIRT2 SMN1; SMN2 2051/4885RAB9A 1061/4885NPC1 3938/4885
US-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R SMN1; SMN2 1793/4885RAB9A 2858/4885NPC1 1936/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SMN1; SMN2 2001/4885RAB9A 1062/4885NPC1 3941/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R SMN1; SMN2 1793/4885RAB9A 2858/4885NPC1 1936/4885

“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.

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