SCHEMBL4137300

SCHEMBL4137300

c1ccc(N2CCN(c3ccc(N4CCC5(CC4)CCN(C4CCC4)CC5)nc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.53
MBTD1 Q05BQ5 1/20 0.46
L3MBTL3 Q96JM7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HSD11B1 P28845 1/20 0.45
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ATM Q13315 1/20 0.43
GRIN2B Q13224 1/20 0.43
MMP2 P08253 1/20 0.43
MMP13 P45452 1/20 0.43
USP2 O75604 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL4147059 0.91 HRH3 (0.45) HRH3HSD11B1DGAT1
SCHEMBL4130945 0.90 HRH3 (0.43) HRH3MBTD1L3MBTL3L3MBTL1HSD11B1
SCHEMBL4938890 0.89 HRH3 (0.47) HRH3L3MBTL3L3MBTL1HSD11B1DRD2
SCHEMBL4938014 0.89 HRH3 (0.42) HRH3L3MBTL3L3MBTL1KMT2AMEN1
SCHEMBL4432576 0.88 L3MBTL1 (0.46) HRH3L3MBTL3L3MBTL1NPC1RAB9A
SCHEMBL4139795 0.88 ALDH1A1 (0.51) HRH3L3MBTL3L3MBTL1HSD11B1KMT2A
SCHEMBL4934963 0.88 HRH4 (0.41) HRH3KMT2AMEN1GAAALDH1A1
SCHEMBL4136714 0.88 L3MBTL3 (0.51) HRH3MBTD1L3MBTL3L3MBTL1
SCHEMBL4289427 0.87 L3MBTL3 (0.50) HRH3MBTD1L3MBTL3L3MBTL1
SCHEMBL4931819 0.86 HRH3 (0.49) HRH3KMT2AMEN1MMP2MMP13

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 1/4885MBTD1 2720/4885L3MBTL3 2655/4885

“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.