SCHEMBL7247254

SCHEMBL7247254

O=C(O)NC1CCN(CCC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.64
CCR5 P51681 10/20 0.63
OPRM1 P35372 1/20 0.54
OPRL1 P41146 1/20 0.54
CCR1 P32246 1/20 0.53
MCHR1 Q99705 1/20 0.53
CYP2D6 P10635 1/20 0.53
SIGMAR1 Q99720 1/20 0.52

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
Benzene SCHEMBL8692613 0.89 CCR5 (0.64) KCNA3CCR5OPRM1OPRL1MCHR1
SCHEMBL13929188 0.88 CCR1 (0.70) KCNA3CCR5OPRM1OPRL1CCR1
SCHEMBL7239523 0.88 CARM1 (0.68) KCNA3CCR5MCHR1CYP2D6SIGMAR1
SCHEMBL7243378 0.87 SIGMAR1 (0.72) KCNA3CCR5SIGMAR1
Hydrochloric Acid SCHEMBL7244256 0.87 CARM1 (0.67) KCNA3CCR5MCHR1CYP2D6SIGMAR1
SCHEMBL13929217 0.85 CCR5 (0.63) KCNA3CCR5OPRM1OPRL1CCR1
SCHEMBL7238565 0.85 CCR5 (0.64) KCNA3CCR5CCR1
SCHEMBL7236961 0.85 POLB (0.67) KCNA3CCR5MCHR1
SCHEMBL13929351 0.84 L3MBTL1 (0.69) CCR5SIGMAR1
SCHEMBL13929209 0.84 CCR5 (0.56) KCNA3CCR5SIGMAR1

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 9 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 disclosed
US-6492365-B1 Microsomal triglyceride transfer protein BRISTOL-MYERS SQUIBB COMPANY 2002-12-10 US disclosed
US-6066650-A USEFUL FOR LOWERING SERUM LIPIDS AND TREATING ATHEROSCLEROSIS AND RELATED DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-05-23 US disclosed
US-6034098-A ATHEROSCLEROSIS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-03-07 US disclosed
US-5883099-A TREATMENT OF ATHERSCLEROSIS, PANCREATITIS OBESITY OR HYPERGLYCEMIA BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-16 US disclosed
US-5789197-A GENETIC ENGINEERING E. R. SQUIBB & SONS, INC. (US) 1998-08-04 US disclosed
US-5739135-A PREVENTING OR TREATING ATHEROSCLEROSIS, PANCREATITIS SECONDARY TO HYPERTRIGLYCERIDEMIA, HYPERGLYCEMIA, OBESITY BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-14 US disclosed
US-5595872-A DNA SEQUENCES, CELLS AND EXPRESSION VECTORS BRISTOL-MYERS SQUIBB COMPANY (US) 1997-01-21 US disclosed
EP-0643057-A1 Inhibitors of microsomal triglyceride transfer protein BRISTOL-MYERS SQUIBB COMPANY (US) 1995-03-15 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-20030166590-A1 Microsomal triglyceride transfer protein MTTP, CETP, HDLBP KCNA3 4577/4885CCR5 2257/4885OPRM1 3739/4885

“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.