SCHEMBL4935019

SCHEMBL4935019

c1ccc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nc2)nc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.62
KDM2B Q8NHM5 1/20 0.47
HSD17B10 Q99714 6/20 0.46
ALDH1A1 P00352 5/20 0.46
CYP2D6 P10635 5/20 0.46
TSHR P16473 5/20 0.46
CYP1A2 P05177 2/20 0.46
HRH3 Q9Y5N1 4/20 0.44
HPGD P15428 4/20 0.44
CYP3A4 P08684 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP2C19 P33261 3/20 0.44
CYP2C9 P11712 2/20 0.44
MAPK1 P28482 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
KMT2A Q03164 1/20 0.44
ACVR1B P36896 1/20 0.40
TGFBR1 P36897 1/20 0.40

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
SCHEMBL4130594 0.83 HRH3 (0.42) CNR2KDM2BHSD17B10ALDH1A1CYP2D6
SCHEMBL4140809 0.83 KDM2B (0.45) CNR2KDM2BCYP2D6CYP1A2HRH3
SCHEMBL4135879 0.82 ACVR1 (0.42) CNR2KDM2BHSD17B10ALDH1A1CYP2D6
SCHEMBL4136329 0.80 HRH3 (0.42) CNR2KDM2BHRH3CYP3A4CYP2C9
SCHEMBL4130790 0.78 GPR119 (0.47) KDM2BHSD17B10ALDH1A1CYP2D6TSHR
SCHEMBL4136446 0.78 HRH3 (0.54) HSD17B10ALDH1A1HRH3HPGDCYP3A4
SCHEMBL4136720 0.77 HRH3 (0.47) CNR2HRH3
SCHEMBL4122718 0.77 HRH3 (0.42) HSD17B10ALDH1A1CYP2D6TSHRCYP1A2
SCHEMBL4137300 0.77 HRH3 (0.53) ALDH1A1CYP2D6CYP1A2HRH3CYP3A4
SCHEMBL4135823 0.77 ACVR1 (0.41) CNR2KDM2BHSD17B10ALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US claimed
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 CNR2 75/4885KDM2B 577/4885HSD17B10 2571/4885

“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.