SCHEMBL4935533

SCHEMBL4935533

c1cncc(-c2ccc(N3CCC4(CC3)CN(C3CCC3)C4)nc2)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.43
HRH3 Q9Y5N1 2/20 0.41
PIM1 P11309 4/20 0.40
CNR2 P34972 5/20 0.39
RET P07949 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SMO Q99835 1/20 0.38

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
SCHEMBL4140809 0.93 KDM2B (0.45) KDM2BHRH3PIM1CNR2CYP1A2
SCHEMBL4933778 0.92 KDM2B (0.45) KDM2BHRH3PIM1CNR2RET
SCHEMBL4136921 0.91 KDM2B (0.44) KDM2BHRH3PIM1RETCYP1A2
SCHEMBL4135823 0.82 ACVR1 (0.41) KDM2BHRH3CNR2RETCYP1A2
SCHEMBL1742761 0.82 HRH3 (0.58) KDM2BHRH3PIM1CNR2CYP1A2
SCHEMBL4135879 0.81 ACVR1 (0.42) KDM2BHRH3CNR2RETCYP1A2
SCHEMBL4136329 0.81 HRH3 (0.42) KDM2BHRH3CNR2RETCYP3A4
SCHEMBL14387376 0.81 PIM1 (0.39) PIM1CNR2CYP1A2CYP3A4SMO
SCHEMBL4131497 0.80 HRH3 (0.44) KDM2BHRH3CYP1A2CYP3A4CYP2D6
SCHEMBL4284430 0.80 KDM2B (0.46) KDM2BHRH3CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US disclosed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US disclosed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US disclosed
WO-2007133561-A2 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION (US) 2007-11-22 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-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES HRH3, HRH4, HRH1 KDM2B 577/4885HRH3 1/4885PIM1 4714/4885

“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.