SCHEMBL4933778

SCHEMBL4933778

c1cncc(-c2ccc(N3CC4(CCN(C5CCC5)CC4)C3)nc2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.45
HRH3 Q9Y5N1 2/20 0.43
PIM1 P11309 4/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 2/20 0.38
RET P07949 2/20 0.38
CHRM4 P08173 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP2C9 P11712 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
CNR2 P34972 2/20 0.36

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
SCHEMBL4136921 0.94 KDM2B (0.44) KDM2BHRH3PIM1ALDH1A1CYP3A4
SCHEMBL4140809 0.92 KDM2B (0.45) KDM2BHRH3PIM1CYP3A4CYP2C9
SCHEMBL4935533 0.92 KDM2B (0.43) KDM2BHRH3PIM1CYP3A4RET
SCHEMBL14387376 0.85 PIM1 (0.39) PIM1ALDH1A1CYP3A4CHRM4HPGD
SCHEMBL4935040 0.83 KDM2B (0.48) KDM2BHRH3ALDH1A1CYP3A4HPGD
SCHEMBL4131497 0.81 HRH3 (0.44) KDM2BHRH3CYP3A4CHRM4HSD17B10
SCHEMBL1742761 0.81 HRH3 (0.58) KDM2BHRH3PIM1CYP3A4CYP2C9
SCHEMBL4135879 0.80 ACVR1 (0.42) KDM2BHRH3ALDH1A1CYP3A4RET
SCHEMBL4136329 0.80 HRH3 (0.42) KDM2BHRH3CYP3A4RETCYP2C9
SCHEMBL4931795 0.80 KDM2B (0.49) KDM2BHRH3ALDH1A1CYP3A4HPGD

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 3 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

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.