SCHEMBL7238565

SCHEMBL7238565

O=C(NC1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 5/20 0.64
DRD2 P14416 3/20 0.57
DRD3 P35462 3/20 0.57
KCNA3 P22001 1/20 0.57
CCR1 P32246 1/20 0.54
ALDH1A1 P00352 1/20 0.53
EPHX2 P34913 1/20 0.52
KMT2A Q03164 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CHRM1 P11229 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
SCHEMBL7247254 0.85 KCNA3 (0.64) CCR5KCNA3CCR1
Benzene SCHEMBL8692613 0.83 CCR5 (0.64) CCR5DRD2DRD3KCNA3
SCHEMBL13929169 0.83 CCR5 (0.61) CCR5KCNA3CCR1EPHX2KMT2A
SCHEMBL13929188 0.82 CCR1 (0.70) CCR5KCNA3CCR1
SCHEMBL7239523 0.82 CARM1 (0.68) CCR5KCNA3KMT2ACYP2C19
Hydrochloric Acid SCHEMBL7244256 0.81 CARM1 (0.67) CCR5KCNA3KMT2ACYP2C19
SCHEMBL7243378 0.81 SIGMAR1 (0.72) CCR5KCNA3EPHX2
SCHEMBL6378224 0.81 CYP2C19 (0.70) DRD2DRD3KMT2ACYP2C19SMN1; SMN2
SCHEMBL13929217 0.80 CCR5 (0.63) CCR5KCNA3CCR1
SCHEMBL13929206 0.79 SIGMAR1 (0.69) CCR5KCNA3

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 11 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
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-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 CCR5 2257/4885DRD2 4743/4885DRD3 4539/4885

“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.