SCHEMBL4136329

SCHEMBL4136329

c1ncc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.42
KDM2B Q8NHM5 1/20 0.42
KCNH2 Q12809 2/20 0.39
DGAT1 O75907 4/20 0.38
RET P07949 3/20 0.38
IRAK4 Q9NWZ3 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
CNR2 P34972 1/20 0.35
ACVR1 Q04771 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
SCHEMBL4140809 0.88 KDM2B (0.45) HRH3KDM2BIRAK4CYP3A4CYP2C9
SCHEMBL4135879 0.88 ACVR1 (0.42) HRH3KDM2BKCNH2DGAT1RET
SCHEMBL4935121 0.85 HRH3 (0.41) HRH3KDM2BKCNH2IRAK4CYP3A4
SCHEMBL4136957 0.84 HRH3 (0.47) HRH3KDM2BKCNH2IRAK4CYP3A4
SCHEMBL4135823 0.82 ACVR1 (0.41) HRH3KDM2BDGAT1RETCYP3A4
SCHEMBL4136820 0.82 HRH3 (0.37) HRH3KDM2BKCNH2
SCHEMBL4136921 0.81 KDM2B (0.44) HRH3KDM2BRETIRAK4CYP3A4
SCHEMBL4935533 0.81 KDM2B (0.43) HRH3KDM2BRETCYP3A4CYP2C9
SCHEMBL4136446 0.81 HRH3 (0.54) HRH3KCNH2DGAT1CYP3A4CYP2C9
SCHEMBL4130790 0.81 GPR119 (0.47) HRH3KDM2B

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
EP-2021004-A2 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION (US) 2009-02-11 EP claimed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US claimed
WO-2007133561-A2 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION (US) 2007-11-22 WO 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 HRH3 1/4885KDM2B 577/4885KCNH2 3110/4885

“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.