SCHEMBL4131640

SCHEMBL4131640

CC1CCCN1C(=O)c1ccc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 4/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
HRH3 Q9Y5N1 11/20 0.45
VNN1 O95497 2/20 0.39
GRM5 P41594 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL4137004 0.92 ADRA1A (0.53) ADRA1AGAAHPGDHRH3VNN1
SCHEMBL4937015 0.90 GAA (0.46) ADRA1AGAAHPGDHRH3VNN1
SCHEMBL4125834 0.89 HPGD (0.51) ADRA1AGAAHPGDHRH3VNN1
SCHEMBL4134376 0.86 HPGD (0.45) ADRA1AGAAHPGDHRH3CA12
SCHEMBL4136446 0.85 HRH3 (0.54) ADRA1AHPGDHRH3
SCHEMBL4127896 0.82 HRH3 (0.46) ADRA1AHRH3
SCHEMBL4131615 0.82 HRH3 (0.57) ADRA1AHRH3
SCHEMBL4125489 0.80 HRH3 (0.44) ADRA1AHPGDHRH3
SCHEMBL4130746 0.80 GAA (0.60) GAAHPGDHRH3GRM5CA12
SCHEMBL4936546 0.78 HRH3 (0.64) ADRA1AHPGDHRH3

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 ADRA1A 420/4885GAA 1882/4885HPGD 496/4885

“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.