SCHEMBL19693044

SCHEMBL19693044

CCCc1cc(CN)ccc1OC

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.52
GABRB2 P47870 3/20 0.52
ALOX5 P09917 1/20 0.52
ADRA1A P35348 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
GABRA5 P31644 1/20 0.49
GABRA3 P34903 1/20 0.49
GABRA2 P47869 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ATM Q13315 1/20 0.49
CSNK2A1 P68400 2/20 0.46

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
SCHEMBL2278377 0.85 TAAR1 (0.52) ADRA1ATAAR1KDM4EATMCSNK2A1
SCHEMBL26037611 0.85 GABRA1 (0.55) GABRA1GABRB2ALOX5ADRA1ATAAR1
Hydrochloric Acid SCHEMBL6768219 0.84 TAAR1 (0.50) ADRA1ATAAR1KDM4EATMCSNK2A1
SCHEMBL28131611 0.79 ALOX5 (0.54) GABRA1GABRB2ALOX5
SCHEMBL16973529 0.79 GABRA1 (0.50) GABRA1GABRB2ALOX5GABRA5GABRA3
SCHEMBL16930050 0.79 SIGMAR1 (0.48) GABRA1GABRB2ALOX5GABRA5GABRA3
SCHEMBL8705798 0.79 TAAR1 (0.64) ADRA1ATAAR1KDM4EATM
SCHEMBL11290729 0.78 GABRA1 (0.55) GABRA1GABRB2ALOX5GABRA5GABRA3
SCHEMBL9886085 0.78 GABRA1 (0.55) GABRA1GABRB2ALOX5TAAR1GABRA5
SCHEMBL44393 0.77 ATM (0.70) TAAR1KDM4EATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200377481-A1 SUBSTITUTED 4-(1-PYRROLIDINYL)PYRIMIDINE COMPOUNDS AS DIMERIZATION INHIBITORS OF NEURONAL NITRIC OXIDE SYNTHASE NORTHWESTERN UNIVERSITY (US) 2020-12-03 US disclosed
WO-2017214286-A1 SUBSTITUTED 4-(1-PYRROLIDINYL)PYRIMIDINE COMPOUNDS AS DIMERIZATION INHIBITORS OF NEURONAL NITRIC OXIDE SYNTHASE NORTHWESTERN UNIVERSITY (US) 2017-12-14 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 (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-20200377481-A1 SUBSTITUTED 4-(1-PYRROLIDINYL)PYRIMIDINE COMPOUNDS AS DIMERIZATION INHIBITORS OF NEURONAL NITRIC OXIDE SYNTHASE NOS1, NOS3, NOS2 GABRA1 1359/4885GABRB2 495/4885ALOX5 342/4885

“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.