SCHEMBL4135823

SCHEMBL4135823

c1cc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)C4)nc2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 1/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
RET P07949 3/20 0.39
KDM2B Q8NHM5 1/20 0.38
HRH3 Q9Y5N1 3/20 0.38
CNR2 P34972 4/20 0.37
DGAT1 O75907 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CSNK1E P49674 1/20 0.35
CDK4 P11802 1/20 0.35

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
SCHEMBL4135879 0.94 ACVR1 (0.42) ACVR1RETKDM2BHRH3CNR2
SCHEMBL4136881 0.83 HRH3 (0.43) RETHRH3
SCHEMBL4136921 0.83 KDM2B (0.44) RETKDM2BHRH3ALDH1A1CYP1A2
SCHEMBL4935533 0.82 KDM2B (0.43) RETKDM2BHRH3CNR2CYP1A2
SCHEMBL4140809 0.82 KDM2B (0.45) KDM2BHRH3CNR2CYP1A2CYP2D6
SCHEMBL4136329 0.82 HRH3 (0.42) ACVR1RETKDM2BHRH3CNR2
SCHEMBL4123006 0.81 NPC1 (0.36) HDAC1HDAC2CYP2C9MAPK1CYP2C19
SCHEMBL4134876 0.80 GRIN2D (0.40) RETHRH3ALDH1A1CYP1A2CYP2D6
SCHEMBL4933778 0.79 KDM2B (0.45) RETKDM2BHRH3CNR2ALDH1A1
SCHEMBL4130790 0.77 GPR119 (0.47) KDM2BHRH3ALDH1A1CYP1A2CYP2D6

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 7 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
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 ACVR1 1458/4885HDAC1 22/4885HDAC2 96/4885

“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.