SCHEMBL6749273

SCHEMBL6749273

O=C(O)C1CC2(CCN(Cc3ccccc3)CC2)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.61
CHRM2 P08172 4/20 0.59
CHRM3 P20309 2/20 0.59
CYP3A4 P08684 4/20 0.56
ALDH1A1 P00352 3/20 0.56
USP2 O75604 1/20 0.56
MAPK1 P28482 1/20 0.56
CYP2C19 P33261 3/20 0.55
TSHR P16473 3/20 0.55
MEN1 O00255 1/20 0.55
CYP2C9 P11712 1/20 0.55
KMT2A Q03164 1/20 0.55
HIF1A Q16665 1/20 0.55
S1PR1 P21453 1/20 0.54
S1PR5 Q9H228 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
OPRL1 P41146 1/20 0.53
ICAM1 P05362 1/20 0.52
HSD17B10 Q99714 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL7143507 0.85 CYP2D6 (0.58) CYP2D6CHRM2CHRM3CYP3A4ALDH1A1
SCHEMBL1519223 0.79 MEN1 (0.69) TSHRMEN1KMT2AS1PR1S1PR5
SCHEMBL15236204 0.78 ALDH1A1 (0.77) CYP2D6CHRM2CHRM3CYP3A4ALDH1A1
SCHEMBL6623974 0.78 CYP2D6 (0.68) CYP2D6CHRM2CHRM3CYP3A4ALDH1A1
SCHEMBL16431003 0.78 CYP2D6 (0.78) CYP2D6CHRM2CHRM3CYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL2551741 0.78 MEN1 (0.68) TSHRMEN1KMT2AS1PR1S1PR5
SCHEMBL2381838 0.77 CYP2D6 (0.67) CYP2D6CHRM2CHRM3CYP3A4ALDH1A1
SCHEMBL2848889 0.76 SMN1; SMN2 (0.69) CYP2D6CYP3A4ALDH1A1USP2MAPK1
SCHEMBL6750537 0.76 OPRM1 (0.56) CYP2D6CHRM2CHRM3CYP3A4ALDH1A1
SCHEMBL4927933 0.76 CYP2D6 (0.69) CYP2D6CHRM2CHRM3CYP3A4ALDH1A1

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-20040092737-A1 Benzopiperidine derivatives EISAI CO., LTD. 2004-05-13 US disclosed
EP-0934941-A1 BENZOPIPERIDINE DERIVATIVES Eisai Co., Ltd. (JP) 1999-08-11 EP 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-20040092737-A1 Benzopiperidine derivatives HLA-DRB1, HRH1, HRH2 CYP2D6 32/4885CHRM2 1292/4885CHRM3 1616/4885

“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.