SCHEMBL6750537

SCHEMBL6750537

N#CC1CC2(CCN(Cc3ccccc3)CC2)C1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.56
ALDH1A1 P00352 3/20 0.55
TSHR P16473 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HIF1A Q16665 2/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
SIGMAR1 Q99720 5/20 0.52
CYP3A4 P08684 4/20 0.51
HSD17B10 Q99714 1/20 0.51
CYP2D6 P10635 2/20 0.50
USP2 O75604 3/20 0.49
CHRM2 P08172 2/20 0.49
MAPK1 P28482 2/20 0.49
CHRM3 P20309 1/20 0.49
OPRL1 P41146 1/20 0.49
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47

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
SCHEMBL311417 0.79 ACHE (0.61) OPRM1ALDH1A1SIGMAR1
SCHEMBL15236204 0.78 ALDH1A1 (0.77) OPRM1ALDH1A1TSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL312187 0.78 ACHE (0.59) OPRM1ALDH1A1SIGMAR1
SCHEMBL6749273 0.76 CYP2D6 (0.61) ALDH1A1TSHRMEN1KMT2AHIF1A
SCHEMBL12022949 0.76 OPRM1 (0.69) OPRM1ALDH1A1TSHRMEN1KMT2A
SCHEMBL8790984 0.75 LTA4H (0.56) OPRM1ALDH1A1CYP2C19SIGMAR1CYP3A4
SCHEMBL5016797 0.74 ACHE (0.54) OPRM1ALDH1A1TSHRMEN1KMT2A
SCHEMBL2086761 0.74 TSHR (0.70) ALDH1A1TSHRMEN1KMT2AHIF1A
SCHEMBL6750542 0.74 OPRM1 (0.54) OPRM1ALDH1A1TSHRMEN1KMT2A
SCHEMBL5243003 0.73 CYP2D6 (0.67) ALDH1A1TSHRMEN1KMT2AHIF1A

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 OPRM1 1879/4885ALDH1A1 145/4885TSHR 3062/4885

“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.