SCHEMBL4557635

SCHEMBL4557635

CN1CCN(Cc2ccc3c(c2)CN(C(=O)O)C3)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.62
HSP90AB1 P08238 2/20 0.62
HSP90B1 P14625 1/20 0.60
ROCK1 Q13464 2/20 0.53
ROCK2 O75116 2/20 0.50
NAMPT P43490 2/20 0.50
HDAC6 Q9UBN7 1/20 0.49
MC4R P32245 1/20 0.49
HRH3 Q9Y5N1 3/20 0.47
LMNA P02545 1/20 0.46
ACHE P22303 1/20 0.46
FAAH O00519 1/20 0.45
CHKA P35790 3/20 0.45
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
DRD1 P21728 1/20 0.44
HRH2 P25021 1/20 0.44
HTR1B P28222 1/20 0.44

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
SCHEMBL27812989 0.90 HSP90AA1 (0.67) HSP90AA1HSP90AB1HSP90B1ROCK1ROCK2
Hydrochloric Acid SCHEMBL27791787 0.89 HSP90AA1 (0.65) HSP90AA1HSP90AB1HSP90B1ROCK1ROCK2
SCHEMBL3698807 0.88 HSP90AA1 (0.49) HSP90AA1HSP90AB1HSP90B1ROCK2NAMPT
SCHEMBL12726607 0.85 HSP90AA1 (0.62) HSP90AA1HSP90AB1HSP90B1ROCK1ROCK2
SCHEMBL12660101 0.83 LMNA (0.56) HSP90AA1HSP90AB1HSP90B1ROCK1HDAC6
SCHEMBL1206797 0.82 HSP90AA1 (0.55) HSP90AA1HSP90AB1HSP90B1ROCK1ROCK2
SCHEMBL30368276 0.82 HSP90AA1 (0.55) HSP90AA1HSP90AB1HSP90B1ROCK1ROCK2
SCHEMBL1019838 0.81 TMEM97 (0.71) HSP90AA1HSP90AB1HSP90B1ROCK1HRH3
Hydrochloric Acid SCHEMBL1072875 0.81 TMEM97 (0.69) HSP90AA1HSP90AB1HSP90B1ROCK1HRH3
SCHEMBL19675099 0.79 LMNA (0.56) HSP90AA1HSP90AB1HSP90B1ROCK1MC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3252050-B1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-02-26 EP disclosed
US-10385026-B2 Phthalazinones and isoquinolinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-20 US disclosed
US-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-14 US disclosed
EP-2945943-B1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-30 EP disclosed
US-9926282-B2 Phthalazinones and isoquinolinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-27 US disclosed
EP-3252049-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS Bristol-Myers Squibb Company (US) 2017-12-06 EP disclosed
EP-3252050-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS Bristol-Myers Squibb Company (US) 2017-12-06 EP disclosed
EP-2073804-B1 HYDROXY-SUBSTITUTED BENZOIC ACID AMIDE COMPOUNDS FOR USE IN THE TREATMENT OF PAIN ASTEX THERAPEUTICS LTD (GB) 2017-09-13 EP disclosed
US-20150353505-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-12-10 US disclosed
EP-2945943-A2 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS Bristol-Myers Squibb Company (US) 2015-11-25 EP disclosed
WO-2014113620-A2 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-07-24 WO disclosed
EP-2073802-A1 PHARMACEUTICAL COMBINATIONS Astex Therapeutics Limited (GB) 2009-07-01 EP disclosed
WO-2008044029-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2008-04-17 WO 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 (3 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-20150353505-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 HSP90AA1 2213/4885HSP90AB1 1614/4885HSP90B1 3727/4885
US-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 HSP90AA1 2146/4885HSP90AB1 1564/4885HSP90B1 3732/4885
US-10385026-B2 Phthalazinones and isoquinolinones as rock inhibitors MYLK, MYLK2, ROCK1 HSP90AA1 2146/4885HSP90AB1 1564/4885HSP90B1 3732/4885

“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.