SCHEMBL3594917

SCHEMBL3594917

CCOC(=O)c1csc(C2CCN(C(=O)OCc3ccccc3)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
CYP2C19 P33261 1/20 0.49
CASP3 P42574 1/20 0.48
CASP7 P55210 1/20 0.48
CASP8 Q14790 1/20 0.48
ALDH1A1 P00352 3/20 0.48
TSHR P16473 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GRIN2B Q13224 5/20 0.46
HTT P42858 2/20 0.46
HSD17B10 Q99714 2/20 0.46
GAA P10253 1/20 0.46
FAAH O00519 1/20 0.46
LMNA P02545 1/20 0.46
PRMT5 O14744 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL8554012 0.89 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL13422177 0.84 LMNA (0.47) SMN1; SMN2NPC1RAB9ACYP2C19CASP3
SCHEMBL1884146 0.84 CASP3 (0.48) SMN1; SMN2NPC1RAB9ACYP2C19CASP3
SCHEMBL4437609 0.82 ALDH1A1 (0.48) SMN1; SMN2NPC1RAB9ACYP2C19CASP3
SCHEMBL29394187 0.82 AADAT (0.53) SMN1; SMN2NPC1RAB9ACASP3CASP7
SCHEMBL13209676 0.82 AADAT (0.53) SMN1; SMN2NPC1RAB9ACASP3CASP7
SCHEMBL13576750 0.82 AADAT (0.53) SMN1; SMN2NPC1RAB9ACASP3CASP7
SCHEMBL8549063 0.82 TSHR (0.53) SMN1; SMN2NPC1RAB9ACYP2C19CASP3
SCHEMBL419527 0.81 GPR119 (0.49) SMN1; SMN2NPC1RAB9ACASP3CASP7
SCHEMBL2773331 0.81 CASP3 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
US-20070167442-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-19 US disclosed
CN-1972923-A Piperidine derivatives as modulators of chemokine receptor ccr5 ASTRAZENECA AB (SE) 2007-05-30 CN disclosed
EP-1742934-A2 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 AstraZeneca AB (SE) 2007-01-17 EP disclosed
WO-2005101989-A2 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2005-11-03 WO disclosed
US-5817677-A ANTITHROMBOSIS AGENTS DR. KARL THOMAE GMBH (DE) 1998-10-06 US disclosed
EP-0858457-A1 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM Dr. Karl Thomae GmbH (DE) 1998-08-19 EP disclosed
WO-1997015567-A1 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM DR. KARL THOMAE GMBH (DE) 1997-05-01 WO 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 (2 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 SMN1; SMN2 3570/4885NPC1 1063/4885RAB9A 1903/4885
US-20070167442-A1 Chemical compounds CCR5, CXCR3, CX3CR1 SMN1; SMN2 4083/4885NPC1 457/4885RAB9A 1983/4885

“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.