SCHEMBL3063295

SCHEMBL3063295

O=C1NCCN1C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 12/20 0.59
CHRM2 P08172 11/20 0.59
OPRL1 P41146 4/20 0.56
DRD2 P14416 2/20 0.55
DRD4 P21917 2/20 0.55
DRD3 P35462 2/20 0.55
OPRM1 P35372 3/20 0.53
OPRK1 P41145 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
ACHE P22303 1/20 0.51
SIGMAR1 Q99720 1/20 0.50

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
SCHEMBL11217794 0.92 OPRL1 (0.57) CHRM3CHRM2OPRL1DRD2DRD4
SCHEMBL27680578 0.81 KCNH2 (0.44) CHRM3CHRM2DRD2OPRM1
SCHEMBL31437068 0.81 CHRM3 (0.61) CHRM3CHRM2OPRL1DRD2DRD4
SCHEMBL3703348 0.79 OPRL1 (0.56) CHRM3CHRM2OPRL1DRD2DRD4
SCHEMBL3870053 0.78 OPRL1 (0.55) CHRM3CHRM2OPRL1DRD2DRD4
SCHEMBL4395238 0.78 DRD2 (0.49) CHRM3CHRM2DRD2DRD4DRD3
SCHEMBL11390291 0.78 CHRM2 (0.60) CHRM3CHRM2OPRL1DRD2DRD4
SCHEMBL3063714 0.77 CHRM2 (0.63) CHRM3CHRM2OPRL1DRD2DRD4
SCHEMBL4585565 0.77 LTA4H (0.60) CHRM3CHRM2OPRL1DRD2DRD4
SCHEMBL2317295 0.76 CHRM4 (0.57) CHRM3CHRM2OPRL1DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100272680-A1 Piperidinyl Cyclic Amido Antiviral Agents BASKARAN SUBRAMANIAN 2010-10-28 US disclosed
WO-2010091411-A1 PIPERIDINYL CYCLIC AMIDO ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO disclosed
US-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2010-01-14 US disclosed
US-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2010-01-14 US disclosed
US-7615555-B2 Piperidine derivatives as modulators of chemokine receptor CCR5 ASTRAZENECA AB (SE) 2009-11-10 US disclosed
US-7615555-B2 Piperidine derivatives as modulators of chemokine receptor CCR5 ASTRAZENECA AB (SE) 2009-11-10 US disclosed
US-20070167442-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-19 US disclosed
US-20070167442-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-19 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 (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-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 CCR5, CCR2, CXCR3 CHRM3 138/4885CHRM2 296/4885OPRL1 35/4885
US-20100272680-A1 Piperidinyl Cyclic Amido Antiviral Agents ZC3HAV1, MAVS, EIF2AK2 CHRM3 4829/4885CHRM2 4835/4885OPRL1 2807/4885
US-20070167442-A1 Chemical compounds CCR5, CXCR3, CX3CR1 CHRM3 100/4885CHRM2 332/4885OPRL1 52/4885

“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.