SCHEMBL4136446

SCHEMBL4136446

CC(=O)c1ccc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.54
ADRA1A P35348 3/20 0.44
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DGAT1 O75907 3/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
KCNH2 Q12809 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
SCHEMBL4936546 0.91 HRH3 (0.64) HRH3ADRA1AMAPTSMN1; SMN2MEN1
SCHEMBL4131615 0.89 HRH3 (0.57) HRH3ADRA1AKMT2ADGAT1HSD17B10
SCHEMBL4127896 0.89 HRH3 (0.46) HRH3ADRA1ADGAT1CYP3A4CYP2C9
SCHEMBL4130708 0.88 HRH3 (0.43) HRH3ADRA1AMAPTMEN1KMT2A
SCHEMBL1743035 0.88 HRH3 (0.59) HRH3ADRA1AMAPTSMN1; SMN2MEN1
SCHEMBL4125489 0.86 HRH3 (0.44) HRH3ADRA1AMAPTSMN1; SMN2DGAT1
SCHEMBL4290718 0.85 HRH3 (0.60) HRH3ADRA1AMAPTSMN1; SMN2
SCHEMBL4131640 0.85 ADRA1A (0.46) HRH3ADRA1AHPGD
SCHEMBL4929417 0.84 HRH3 (0.59) HRH3ADRA1AALDH1A1HPGDHSD17B10
SCHEMBL4141350 0.84 KMT2A (0.58) HRH3MAPTSMN1; SMN2MEN1KMT2A

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
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US claimed
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 HRH3 1/4885ADRA1A 420/4885MAPT 1220/4885

“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.