SCHEMBL4125536

SCHEMBL4125536

Brc1cccc(N2CCC3(CC2)CCN(C2CCC2)CC3)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.47
L3MBTL3 Q96JM7 10/20 0.43
MBTD1 Q05BQ5 7/20 0.43
L3MBTL1 Q9Y468 6/20 0.42
TP53BP1 Q12888 1/20 0.42
TSHR P16473 2/20 0.41
L3MBTL4 Q8NA19 1/20 0.41
USP2 O75604 2/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40

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
SCHEMBL4125512 0.82 L3MBTL3 (0.50) HRH3L3MBTL3MBTD1L3MBTL1TP53BP1
SCHEMBL4134790 0.80 DRD2 (0.52) HRH3TSHRUSP2MAPK1HSD17B10
SCHEMBL4936803 0.77 USP2 (0.47) HRH3L3MBTL3MBTD1L3MBTL1TP53BP1
SCHEMBL4135634 0.75 L3MBTL3 (0.45) HRH3L3MBTL3MBTD1L3MBTL1TP53BP1
SCHEMBL4294003 0.74 USP2 (0.46) HRH3TSHRUSP2MAPK1HSD17B10
SCHEMBL4130404 0.74 L3MBTL3 (0.44) HRH3L3MBTL3MBTD1L3MBTL1TSHR
SCHEMBL28785960 0.74 HDAC4 (0.49) L3MBTL3MBTD1L3MBTL1TP53BP1L3MBTL4
SCHEMBL2635187 0.74 VCP (0.58) L3MBTL3MBTD1L3MBTL1TP53BP1L3MBTL4
SCHEMBL27821597 0.74 HDAC4 (0.49) L3MBTL3MBTD1L3MBTL1TP53BP1L3MBTL4
SCHEMBL2634916 0.74 L3MBTL3 (0.51) L3MBTL3MBTD1L3MBTL1TP53BP1L3MBTL4

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 1/4885L3MBTL3 2655/4885MBTD1 2720/4885

“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.