SCHEMBL4130404

SCHEMBL4130404

Brc1ccc(N2CCC3(CCN(C4CCC4)CC3)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 4/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
HRH3 Q9Y5N1 7/20 0.43
USP2 O75604 5/20 0.38
ALDH1A1 P00352 5/20 0.38
CYP3A4 P08684 5/20 0.38
CYP1A2 P05177 4/20 0.38
CYP2D6 P10635 4/20 0.38
CYP2C19 P33261 5/20 0.37
CYP2C9 P11712 3/20 0.37
MAPK1 P28482 3/20 0.37
TP53 P04637 2/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MBTD1 Q05BQ5 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
TSHR P16473 2/20 0.36
MMP2 P08253 1/20 0.36

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
SCHEMBL4135634 0.93 L3MBTL3 (0.45) L3MBTL3L3MBTL1HRH3USP2MBTD1
SCHEMBL4125512 0.91 L3MBTL3 (0.50) L3MBTL3L3MBTL1HRH3USP2CYP2D6
SCHEMBL4130613 0.80 GRIN2D (0.39) HRH3ALDH1A1CYP3A4CYP1A2CYP2D6
SCHEMBL30732918 0.77 AKR1C3 (0.36) L3MBTL3L3MBTL1USP2ALDH1A1CYP3A4
SCHEMBL4287909 0.76 CHRM1 (0.45) HRH3USP2ALDH1A1CYP3A4CYP1A2
SCHEMBL4935040 0.76 KDM2B (0.48) HRH3USP2ALDH1A1CYP3A4CYP1A2
SCHEMBL2155939 0.76 L3MBTL3 (0.57) L3MBTL3L3MBTL1ALDH1A1MBTD1
SCHEMBL4134876 0.75 GRIN2D (0.40) HRH3ALDH1A1CYP3A4CYP1A2CYP2D6
SCHEMBL4125536 0.74 HRH3 (0.47) L3MBTL3L3MBTL1HRH3USP2ALDH1A1
SCHEMBL14027014 0.73 TRIM24 (0.56) L3MBTL3L3MBTL1HRH3ALDH1A1CYP2C9

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
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

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 L3MBTL3 2655/4885L3MBTL1 2620/4885HRH3 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.