SCHEMBL7240225

SCHEMBL7240225

COc1ccc(C(C(=O)NC2CCN(CCc3ccccc3)CC2)c2ccc(OC)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.58
OPRM1 P35372 2/20 0.58
ALDH1A1 P00352 2/20 0.55
GAA P10253 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CCR1 P32246 1/20 0.53
DRD4 P21917 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
HTR1A P08908 1/20 0.51
SLC6A4 P31645 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
SCHEMBL7242922 0.89 SIGMAR1 (0.68) SIGMAR1CCR1DRD4
SCHEMBL29778700 0.85 SIGMAR1 (0.57) SIGMAR1OPRM1ALDH1A1GAAHSD17B10
SCHEMBL29778692 0.84 SIGMAR1 (0.55) SIGMAR1OPRM1ALDH1A1GAAHSD17B10
SCHEMBL7729558 0.83 CCR1 (0.60) SIGMAR1CCR1DRD4
SCHEMBL7729568 0.83 CCR1 (0.60) SIGMAR1CCR1DRD4
SCHEMBL9872534 0.81 DRD4 (0.64) SIGMAR1OPRM1ALDH1A1DRD4
Oxalic Acid SCHEMBL7729520 0.81 CCR1 (0.58) SIGMAR1CCR1DRD4
Oxalic Acid SCHEMBL7729513 0.81 CCR1 (0.58) SIGMAR1CCR1DRD4
SCHEMBL5325204 0.80 CCR8 (0.51) SIGMAR1OPRM1ALDH1A1SMN1; SMN2
SCHEMBL9278923 0.80 SIGMAR1 (0.65) SIGMAR1OPRM1DRD4

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 6 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-6066650-A USEFUL FOR LOWERING SERUM LIPIDS AND TREATING ATHEROSCLEROSIS AND RELATED DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-05-23 US claimed
EP-0643057-A1 Inhibitors of microsomal triglyceride transfer protein BRISTOL-MYERS SQUIBB COMPANY (US) 1995-03-15 EP 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-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 SIGMAR1 2862/4885OPRM1 3739/4885ALDH1A1 3548/4885

“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.