SCHEMBL17324729

SCHEMBL17324729

CC(=O)c1nn(CCO)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 7/20 0.44
▸ CNR2 P34972 5/20 0.44
▸ ROCK1 Q13464 1/20 0.44
▸ HTR3A P46098 2/20 0.43
▸ GLS O94925 1/20 0.43
▸ ELANE P08246 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ PARP1 P09874 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ATM Q13315 1/20 0.42
▸ CFD P00746 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL17324753 0.91 CNR1 (0.48) CNR1CNR2HTR3AGLSELANE
SCHEMBL17176239 0.88 HTR3A (0.54) CNR1CNR2HTR3AGLSELANE
SCHEMBL5438502 0.86 TSHR (0.54) CNR1CNR2ROCK1KDM4ETSHR
SCHEMBL31429522 0.86 TSHR (0.54) CNR1CNR2ROCK1KDM4ETSHR
SCHEMBL17324818 0.84 KDM4C (0.50) CNR1CNR2HTR3AELANEKDM4E
SCHEMBL17324780 0.84 ROCK1 (0.48) CNR1CNR2ROCK1HTR3AGLS
SCHEMBL17321432 0.84 CNR1 (0.47) CNR1CNR2ROCK1HTR3AGLS
SCHEMBL31429235 0.84 ELANE (0.57) CNR1CNR2ROCK1HTR3AELANE
SCHEMBL17324730 0.81 CNR1 (0.48) CNR1CNR2HTR3AKDM4ETSHR
SCHEMBL29781847 0.81 HSD17B10 (0.61) ROCK1KDM4EHSD17B10CFD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150353505-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-12-10 — — 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 (1 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 CNR1 3961/4885CNR2 3572/4885ROCK1 3/4885

“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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