SCHEMBL4136921

SCHEMBL4136921

c1cncc(-c2ccc(N3CCC4(CCN(C5CCC5)CC4)C3)nc2)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.44
HRH3 Q9Y5N1 2/20 0.42
CHRM4 P08173 1/20 0.41
RET P07949 2/20 0.39
PIM1 P11309 4/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
CYP3A4 P08684 4/20 0.37
CYP2D6 P10635 3/20 0.37
CYP2C19 P33261 3/20 0.37
CYP1A2 P05177 3/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TRPV6 Q9H1D0 2/20 0.37
CYP2C9 P11712 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
SCHEMBL4933778 0.94 KDM2B (0.45) KDM2BHRH3CHRM4RETPIM1
SCHEMBL4140809 0.93 KDM2B (0.45) KDM2BHRH3PIM1IRAK4CYP3A4
SCHEMBL4935533 0.91 KDM2B (0.43) KDM2BHRH3RETPIM1CYP3A4
SCHEMBL4935040 0.86 KDM2B (0.48) KDM2BHRH3IRAK4CYP3A4CYP2D6
SCHEMBL4931859 0.85 SCD (0.42) KDM2BHRH3CHRM4CYP3A4CYP2D6
SCHEMBL4131497 0.83 HRH3 (0.44) KDM2BHRH3CHRM4IRAK4CYP3A4
SCHEMBL4284430 0.83 KDM2B (0.46) KDM2BHRH3CYP3A4CYP2D6CYP2C19
SCHEMBL4135823 0.83 ACVR1 (0.41) KDM2BHRH3RETCYP3A4CYP2D6
SCHEMBL4135879 0.81 ACVR1 (0.42) KDM2BHRH3RETCYP3A4CYP2D6
SCHEMBL4136329 0.81 HRH3 (0.42) KDM2BHRH3RETIRAK4CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US claimed
EP-2021004-A2 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION (US) 2009-02-11 EP 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
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 1/4885CHRM4 476/4885

“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.