SCHEMBL4139050

SCHEMBL4139050

CS(=O)(=O)c1ccc(N2CCC3(CC2)CCN(C2CCC2)CC3)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.52
HRH1 P35367 1/20 0.52
CYP2C9 P11712 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
MMP2 P08253 3/20 0.46
MMP13 P45452 3/20 0.46
GPR119 Q8TDV5 9/20 0.46
MMP3 P08254 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AKR1C3 P42330 1/20 0.42

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
SCHEMBL10395260 0.81 L3MBTL3 (0.69) HRH3HRH1GPR119CHRM2CHRM1
SCHEMBL4130790 0.80 GPR119 (0.47) HRH3CYP1A2CYP2D6TSHRGPR119
SCHEMBL4129148 0.79 MAPT (0.43)
SCHEMBL14027014 0.79 TRIM24 (0.56) HRH3CYP2C9MMP2MMP13L3MBTL3
SCHEMBL4125512 0.79 L3MBTL3 (0.50) HRH3CYP2C9CYP2D6MMP2MMP13
SCHEMBL4136511 0.78 KMT2A (0.62) HRH3HRH1CYP2C9CYP1A2TSHR
SCHEMBL2797749 0.78 HRH3 (0.69) HRH3HRH1
SCHEMBL4123114 0.77 HRH3 (0.56) HRH3CYP2C9CYP1A2CYP2C19MMP2
SCHEMBL4136516 0.77 HRH3 (0.47) HRH3MMP2MMP13L3MBTL3L3MBTL1
SCHEMBL4131556 0.76 HRH3 (0.60) HRH3MMP2MMP13GPR119L3MBTL3

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 6 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

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 1/4885HRH1 3/4885CYP2C9 1705/4885

“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.