SCHEMBL2564576

SCHEMBL2564576

CCc1[nH]c2cc(F)ccc2c1C1=CCN(Cc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.53
CCNT1 O60563 1/20 0.48
CDK9 P50750 1/20 0.48
PARP1 P09874 1/20 0.47
DRD2 P14416 6/20 0.47
HTR1A P08908 4/20 0.47
HTR2A P28223 2/20 0.47
HTT P42858 1/20 0.47
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
OPRM1 P35372 1/20 0.45
OPRK1 P41145 1/20 0.45
ACHE P22303 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 1/20 0.43
CCR3 P51677 1/20 0.42

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
SCHEMBL3998601 0.78 CCR3 (0.61) HTR6DRD2HTR1AHTR2ADRD3
SCHEMBL4003635 0.76 HTR6 (0.46) HTR6HTR1ACCR3
SCHEMBL3995778 0.76 HTR6 (0.45) HTR6HTR1ACCR3
SCHEMBL3992987 0.74 HTR6 (0.41) HTR6DRD2HTR1AHTR2AMEN1
SCHEMBL13797761 0.74 CCR3 (0.54) HTR6DRD2HTR1AHTR2ADRD3
SCHEMBL11637132 0.74 HTR6 (0.78) HTR6PARP1DRD2HTR1AHTR2A
SCHEMBL11785343 0.73 DRD2 (0.62) HTR6PARP1DRD2HTR1AHTR2A
SCHEMBL11782822 0.73 HTR6 (0.67) HTR6DRD2HTR1AHTR2AACHE
SCHEMBL3998600 0.73 HTR6 (0.42) HTR6CCR3
Hydrochloric Acid SCHEMBL11639446 0.73 HTR6 (0.76) HTR6PARP1DRD2HTR1AHTR2A

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 6 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
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-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 208/4885CCNT1 1555/4885CDK9 1043/4885
US-20060247230-A1 Novel Piperidine-Substituted Indoles CCR3, CCR1, CCR2 HTR6 286/4885CCNT1 1055/4885CDK9 1150/4885

“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.