SCHEMBL5857950

SCHEMBL5857950

NC1CCN(CCC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.71
CYP2D6 P10635 2/20 0.62
SIGMAR1 Q99720 2/20 0.58
CCR5 P51681 8/20 0.53
OPRL1 P41146 5/20 0.53
OPRM1 P35372 3/20 0.52
MTR Q99707 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
Hydrochloric Acid SCHEMBL8199416 0.98 KCNA3 (0.69) KCNA3CYP2D6SIGMAR1CCR5OPRL1
Hydrochloric Acid SCHEMBL4218305 0.98 KCNA3 (0.69) KCNA3CYP2D6SIGMAR1CCR5OPRL1
SCHEMBL6079135 0.92 KCNA3 (0.64) KCNA3CYP2D6SIGMAR1CCR5OPRL1
SCHEMBL6079142 0.92 KCNA3 (0.64) KCNA3CYP2D6SIGMAR1CCR5OPRL1
SCHEMBL6079873 0.92 KCNA3 (0.64) KCNA3CYP2D6SIGMAR1CCR5OPRL1
Trifluoroacetic Acid SCHEMBL5858602 0.87 KCNA3 (0.59) KCNA3CYP2D6CCR5OPRL1OPRM1
SCHEMBL6700772 0.85 KCNA3 (0.53) KCNA3
SCHEMBL5857422 0.85 KCNA3 (0.53) KCNA3
SCHEMBL6079642 0.83 KCNA3 (0.53) KCNA3CYP2D6SIGMAR1CCR5
SCHEMBL6080224 0.83 KCNA3 (0.53) KCNA3CYP2D6SIGMAR1CCR5

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110313144-A1 iRNA Agents Targeting CCR5 Expressing Cells And Uses Thereof ALNYLAM PHARMACEUTICALS, INC. 2011-12-22 US disclosed
US-8034921-B2 Chemokine receptors (CCR5); double stranded RNA; gene knockout ALNYLAM PHARMACEUTICALS, INC. (US) 2011-10-11 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-20080255345-A1 IRNA Agents Targeting CCR5 Expressing Cells And Uses Thereof ALNYLAM PHARMACEUTICALS, INC. 2008-10-16 US disclosed
US-6989393-B2 Ccr5 modulators benzimidazoles or benzotriazoles ASTRAZENECA AB (SE) 2006-01-24 US 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
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
WO-2001066525-A1 NEW CCR5 MODULATORS: BENZIMIDAZOLES OR BENZOTRIAZOLES ASTRAZENECA AB (SE) 2001-09-13 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 (5 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-20080255345-A1 IRNA Agents Targeting CCR5 Expressing Cells And Uses Thereof CCR5, CXCR3, CCR2 KCNA3 4632/4885CYP2D6 4844/4885SIGMAR1 2032/4885
US-20030166590-A1 Microsomal triglyceride transfer protein MTTP, CETP, HDLBP KCNA3 4577/4885CYP2D6 2230/4885SIGMAR1 2862/4885
US-20090054451-A1 Use of Piperidine Derivatives as Agonists of Chemokine Receptor Activity ACKR3, CCR5, CCR7 KCNA3 1167/4885CYP2D6 2803/4885SIGMAR1 129/4885
US-20040006081-A1 Pharmaceutically active piperidine derivatives, in particular as modulators of chemokine receptor activity CCR5, CCR2, CCR1 KCNA3 2564/4885CYP2D6 1355/4885SIGMAR1 450/4885
US-20110313144-A1 iRNA Agents Targeting CCR5 Expressing Cells And Uses Thereof CCR5, CXCR3, CCR2 KCNA3 4632/4885CYP2D6 4844/4885SIGMAR1 2032/4885

“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.