SCHEMBL3639939

SCHEMBL3639939

CNC1CCN(CCC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.65
SIGMAR1 Q99720 2/20 0.57
CYP2D6 P10635 2/20 0.57
CCR5 P51681 11/20 0.54
OPRM1 P35372 3/20 0.51
OPRL1 P41146 3/20 0.51
MTR Q99707 1/20 0.49

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
Hydrochloric Acid SCHEMBL6698846 0.98 KCNA3 (0.63) KCNA3SIGMAR1CYP2D6CCR5OPRM1
SCHEMBL27570739 0.88
SCHEMBL6699077 0.87 MEN1 (0.53) KCNA3SIGMAR1CYP2D6CCR5OPRM1
Hydrochloric Acid SCHEMBL27570794 0.87
SCHEMBL6705454 0.86 KCNA3 (0.67) KCNA3SIGMAR1CYP2D6CCR5OPRM1
SCHEMBL6704364 0.85 KCNA3 (0.61) KCNA3SIGMAR1CYP2D6CCR5OPRM1
SCHEMBL15151008 0.84 SIGMAR1 (0.45) KCNA3SIGMAR1
SCHEMBL13970964 0.84 KCNA3 (0.47) KCNA3SIGMAR1CYP2D6CCR5OPRM1
Benzene SCHEMBL8692613 0.81 CCR5 (0.64) KCNA3CCR5OPRM1OPRL1
SCHEMBL7247254 0.81 KCNA3 (0.64) KCNA3SIGMAR1CYP2D6CCR5OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2173715-A2 USE OF PIPERIDINE DERIVATIVES AS AGONISTS OF CHEMOKINE RECEPTOR ACTIVITY Euroscreen S.A. (BE) 2010-04-14 EP disclosed
US-20090054451-A1 Use of Piperidine Derivatives as Agonists of Chemokine Receptor Activity EUROSCREEN S.A. (BE) 2009-02-26 US disclosed
US-20090054451-A1 Use of Piperidine Derivatives as Agonists of Chemokine Receptor Activity EUROSCREEN S.A. (BE) 2009-02-26 US disclosed
US-20090054451-A1 Use of Piperidine Derivatives as Agonists of Chemokine Receptor Activity EUROSCREEN S.A. (BE) 2009-02-26 US disclosed
WO-2009010478-A2 USE OF PIPERIDINE DERIVATIVES AS AGONISTS OF CHEMOKINE RECEPTOR ACTIVITY EUROSCREEN S.A. (BE) 2009-01-22 WO disclosed
US-20040006081-A1 Pharmaceutically active piperidine derivatives, in particular as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2004-01-08 US disclosed
CN-1441781-A Pharmaceutically active piperidine derivatives, in particular as modulators of chemokine receptor activity ASTRAZENECA AG (SE) 2003-09-10 CN disclosed
US-20030166590-A1 Microsomal triglyceride transfer protein WETTERAU JOHN R (US) 2003-09-04 US disclosed
EP-1289957-A1 PHARMACEUTICALLY ACTIVE PIPERIDINE DERIVATIVES, IN PARTICULAR AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2003-03-12 EP disclosed
US-6492365-B1 Microsomal triglyceride transfer protein BRISTOL-MYERS SQUIBB COMPANY 2002-12-10 US disclosed
WO-2001087839-A1 PHARMACEUTICALLY ACTIVE PIPERIDINE DERIVATIVES, IN PARTICULAR AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2001-11-22 WO 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 (3 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 4577/4885SIGMAR1 2862/4885CYP2D6 2230/4885
US-20090054451-A1 Use of Piperidine Derivatives as Agonists of Chemokine Receptor Activity ACKR3, CCR5, CCR7 KCNA3 1167/4885SIGMAR1 129/4885CYP2D6 2803/4885
US-20040006081-A1 Pharmaceutically active piperidine derivatives, in particular as modulators of chemokine receptor activity CCR5, CCR2, CCR1 KCNA3 2564/4885SIGMAR1 450/4885CYP2D6 1355/4885

“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.