SCHEMBL7239705

SCHEMBL7239705

O=C(c1ccccc1)N(Cc1ccccc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.70
CHRM3 P20309 1/20 0.70
CCR5 P51681 11/20 0.61
OPRM1 P35372 5/20 0.61
OPRL1 P41146 1/20 0.55

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
SCHEMBL7241015 0.87 CCR5 (0.65) CCR5OPRM1OPRL1
SCHEMBL5864068 0.85 AGER (0.57) CHRM2CHRM3CCR5OPRM1
SCHEMBL5863894 0.85 CHRM2 (0.51) CHRM2CHRM3CCR5OPRM1
SCHEMBL5863862 0.83 AGER (0.49) CHRM2CHRM3CCR5OPRM1
SCHEMBL7244920 0.82 CCR5 (0.85) CCR5
SCHEMBL5863954 0.79 AGER (0.54) CHRM2CHRM3CCR5OPRM1
SCHEMBL5863674 0.79 AGER (0.49) CHRM2CHRM3CCR5
SCHEMBL4025012 0.78 CCR5 (0.81) CCR5
SCHEMBL8293386 0.78 CTSD (0.78) CHRM2CHRM3OPRM1
SCHEMBL5863781 0.77 AGER (0.55) CHRM2CHRM3CCR5OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030166590-A1 Microsomal triglyceride transfer protein WETTERAU JOHN R (US) 2003-09-04 US claimed
US-20030166590-A1 Microsomal triglyceride transfer protein WETTERAU JOHN R (US) 2003-09-04 US disclosed
US-6492365-B1 Microsomal triglyceride transfer protein BRISTOL-MYERS SQUIBB COMPANY 2002-12-10 US disclosed
US-5789197-A GENETIC ENGINEERING E. R. SQUIBB & SONS, INC. (US) 1998-08-04 US disclosed
US-5595872-A DNA SEQUENCES, CELLS AND EXPRESSION VECTORS BRISTOL-MYERS SQUIBB COMPANY (US) 1997-01-21 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-20030166590-A1 Microsomal triglyceride transfer protein MTTP, CETP, HDLBP CHRM2 4754/4885CHRM3 4798/4885CCR5 2257/4885

“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.