SCHEMBL6749090

SCHEMBL6749090

C=CC1(CC=O)CCN(Cc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.50
HSD17B10 Q99714 1/20 0.50
SIGMAR1 Q99720 8/20 0.49
OPRL1 P41146 1/20 0.48
TSHR P16473 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HIF1A Q16665 1/20 0.47
POLB P06746 1/20 0.47
CYP2D6 P10635 2/20 0.46
CHRM2 P08172 1/20 0.45
CHRM3 P20309 1/20 0.45
OPRM1 P35372 1/20 0.44
CCR3 P51677 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
DRD2 P14416 1/20 0.43

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
SCHEMBL6747729 0.81 CYP2D6 (0.51) CYP3A4HSD17B10SIGMAR1OPRL1TSHR
SCHEMBL13166827 0.74 CYP3A4 (0.59) CYP3A4HSD17B10SIGMAR1OPRL1TSHR
SCHEMBL831288 0.73 CYP3A4 (0.53) CYP3A4HSD17B10SIGMAR1OPRL1TSHR
SCHEMBL2449739 0.72 TSHR (0.58) CYP3A4HSD17B10SIGMAR1OPRL1TSHR
SCHEMBL15430945 0.72 CYP3A4 (0.56) CYP3A4HSD17B10SIGMAR1OPRL1TSHR
SCHEMBL18761020 0.72 OPRL1 (0.61) CYP3A4HSD17B10SIGMAR1OPRL1TSHR
SCHEMBL23529460 0.72 CYP3A4 (0.47) CYP3A4HSD17B10SIGMAR1OPRL1TSHR
SCHEMBL10965632 0.71 OPRL1 (0.59) CYP3A4HSD17B10SIGMAR1OPRL1TSHR
SCHEMBL7658856 0.71 SIGMAR1 (0.69) SIGMAR1ALDH1A1POLBCCR3
SCHEMBL12232919 0.71 CYP3A4 (0.46) CYP3A4HSD17B10SIGMAR1OPRL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092737-A1 Benzopiperidine derivatives EISAI CO., LTD. 2004-05-13 US disclosed
US-6518423-B1 These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and EISAI CO., LTD. (JP) 2003-02-11 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 CYP3A4 35/4885HSD17B10 2064/4885SIGMAR1 1579/4885

“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.