SCHEMBL2567532

SCHEMBL2567532

CCc1[nH]c2cc(F)ccc2c1C1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.58
CCR3 P51677 14/20 0.57
HTR2A P28223 5/20 0.46
KCNH2 Q12809 5/20 0.46
HTR2C P28335 4/20 0.46
DRD2 P14416 2/20 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
SCHEMBL373751 0.89 HTR6 (0.69) HTR6CCR3HTR2AKCNH2HTR2C
SCHEMBL2564429 0.79 CCR3 (0.59) HTR6CCR3DRD2
SCHEMBL3994282 0.74 CCR3 (0.70) CCR3DRD2
SCHEMBL7844479 0.74 HTR6 (0.50) HTR6CCR3HTR2AHTR2C
SCHEMBL1097478 0.74 CCR3 (1.00) CCR3
SCHEMBL4001590 0.72 CCR3 (0.69) CCR3DRD2
SCHEMBL4078326 0.70 PARP1 (0.48) HTR6CCR3HTR2AKCNH2HTR2C
SCHEMBL2569896 0.68 HTR6 (0.63) HTR6HTR2AHTR2C
SCHEMBL2565277 0.67 CCR3 (0.61) HTR6CCR3
SCHEMBL30275187 0.67 HTR2A (0.64) HTR2AHTR2CDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687294-B1 NOVEL PIPERIDINE-SUBSTITUTED INDOLES-OR HETERO-DERIVATIVES THEREOF AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR (CCR-3) BOEHRINGER INGELHEIM INT (DE) 2014-05-21 EP disclosed
EP-1994019-B1 NOVEL PIPERIDIN - SUBSTITUTED INDOLES AND THEIR USE AS CCR-3 MODULATORS BOEHRINGER INGELHEIM INT (DE) 2011-11-02 EP disclosed
EP-1994019-B1 NOVEL PIPERIDIN - SUBSTITUTED INDOLES AND THEIR USE AS CCR-3 MODULATORS BOEHRINGER INGELHEIM INT (DE) 2011-11-02 EP disclosed
US-7759365-B2 Piperidine-substituted indoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-20 US disclosed
US-7759365-B2 Piperidine-substituted indoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-20 US disclosed
US-7759365-B2 Piperidine-substituted indoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-20 US disclosed
US-7544806-B2 Piperidine-substituted indoles-or heteroderivatives thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-09 US disclosed
US-7544806-B2 Piperidine-substituted indoles-or heteroderivatives thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-09 US disclosed
US-7544806-B2 Piperidine-substituted indoles-or heteroderivatives thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-09 US disclosed
CN-1882565-A Novel piperidine-substituted indoles-or hetero-derivatives thereof and their use as modulators of chemokine receptor (CCR-3) BOEHRINGER INGELHEIM INT (DE) 2006-12-20 CN disclosed
US-20060247230-A1 Novel Piperidine-Substituted Indoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-02 US disclosed
US-20050153979-A1 Novel piperidine-substituted indoles-or heteroderivatives thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-07-14 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 (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-20050153979-A1 Novel piperidine-substituted indoles-or heteroderivatives thereof CCR3, CCR1, CCR2 HTR6 208/4885CCR3 1/4885HTR2A 248/4885
US-20060247230-A1 Novel Piperidine-Substituted Indoles CCR3, CCR1, CCR2 HTR6 286/4885CCR3 1/4885HTR2A 406/4885

“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.