SCHEMBL16692891

SCHEMBL16692891

CN1[C@@H]2CC[C@H]1CC(NC(=O)c1cn(CC3CC3)c3ccccc3c1=O)C2

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 12/20 0.58
HTR3E A5X5Y0 4/20 0.58
HTR3B O95264 4/20 0.58
HTR3D Q70Z44 4/20 0.58
HTR3C Q8WXA8 4/20 0.58
CNR1 P21554 3/20 0.54
CNR2 P34972 3/20 0.54
ALDH1A1 P00352 1/20 0.53
CYP3A4 P08684 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
HTR4 Q13639 1/20 0.50

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
SCHEMBL22416267 1.00 HTR3A (0.58) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9027739 1.00 HTR3A (0.58) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL16378030 0.96 CNR1 (0.57) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL22416052 0.96 CNR1 (0.57) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9028063 0.90 HTR3A (0.61) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9027144 0.89 HTR3A (0.66) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9027450 0.87 HTR3A (0.67) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9028508 0.87 CNR2 (0.73) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9027784 0.87 HTR3A (0.59) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9027809 0.86 HTR3A (0.60) HTR3AHTR3EHTR3BHTR3DHTR3C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9403802-B2 Heterocyclic compound and use therefor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-02 US disclosed
US-20150126487-A1 HETEROCYCLIC COMPOUND AND USE THEREFOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-07 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-20150126487-A1 HETEROCYCLIC COMPOUND AND USE THEREFOR CHRM1, CHRM4, CHRM2 HTR3A 163/4885HTR3E 304/4885HTR3B 109/4885

“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.