SCHEMBL4937015

SCHEMBL4937015

CC1CCCN1C(=O)c1ccc(-c2cnc(N3CCC4(CC3)CCN(C3CCC3)CC4)nc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
HRH3 Q9Y5N1 7/20 0.46
ADRA1A P35348 1/20 0.42
SLC6A7 Q99884 2/20 0.42
VNN1 O95497 2/20 0.40
GRM5 P41594 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
USP2 O75604 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 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
SCHEMBL4131640 0.90 ADRA1A (0.46) GAAHPGDHRH3ADRA1AVNN1
SCHEMBL4130708 0.85 HRH3 (0.43) HRH3ADRA1AUSP2CYP3A4CYP2D6
SCHEMBL4137004 0.83 ADRA1A (0.53) GAAHPGDHRH3ADRA1AVNN1
SCHEMBL4136337 0.82 HRH3 (0.44) HRH3ADRA1AMKNK1MKNK2USP2
SCHEMBL4928014 0.82 HRH3 (0.46) HRH3ADRA1AUSP2CYP3A4CYP2D6
SCHEMBL4134376 0.81 HPGD (0.45) GAAHPGDHRH3ADRA1ACA12
SCHEMBL4130746 0.81 GAA (0.60) GAAHPGDHRH3GRM5CA12
SCHEMBL4125834 0.80 HPGD (0.51) GAAHPGDHRH3ADRA1AVNN1
SCHEMBL4135581 0.76 TLR9 (0.38) HRH3ADRA1A
SCHEMBL4123122 0.76 ADRA1A (0.47) HRH3ADRA1AUSP2CYP3A4CYP2D6

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 GAA 1882/4885HPGD 496/4885HRH3 1/4885

“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.