SCHEMBL129040

SCHEMBL129040

CCCOc1cc(C)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.46
UHRF1 Q96T88 1/20 0.45
CCR1 P32246 1/20 0.45
CCR5 P51681 1/20 0.45
CCR8 P51685 1/20 0.45
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41

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
SCHEMBL10187322 0.90 CRHR1 (0.44) CRHR1UHRF1CCR1CCR5CCR8
SCHEMBL129096 0.83 UHRF1 (0.48) CRHR1UHRF1CCR1CCR5CCR8
SCHEMBL12017657 0.82 KMT2A (0.44) CRHR1UHRF1CCR1CCR5CCR8
SCHEMBL12017658 0.82 UHRF1 (0.43) CRHR1UHRF1CCR1CCR5CCR8
SCHEMBL17707978 0.82 UHRF1 (0.43) CRHR1UHRF1CCR1CCR5CCR8
SCHEMBL8352772 0.82 LOXL2 (0.46) CRHR1UHRF1CCR1CCR5CCR8
SCHEMBL8278931 0.81 UHRF1 (0.42) CRHR1UHRF1CCR1CCR5CCR8
SCHEMBL3340745 0.80 MAPT (0.50) KDM4EKMT2AMEN1NOS3NOS1
SCHEMBL17303488 0.79 CHRNB2 (0.44) CRHR1UHRF1CCR1CCR5CCR8
SCHEMBL12625 0.79 HTR7 (0.46) CRHR1UHRF1CCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815834-B2 Quinolone derivatives as fibroblast growth factor receptor inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2017-11-14 US disclosed
US-9567334-B2 Quinolone derivatives as fibroblast growth factor receptor inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2017-02-14 US disclosed
US-20160229849-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS PRINCIPIA BIOPHARMA INC. 2016-08-11 US disclosed
US-20160200725-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS PRINCIPIA BIOPHARMA INC. 2016-07-14 US disclosed
US-20130172312-A1 Azetidine Derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-04 US disclosed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
WO-2012032014-A1 ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-15 WO disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 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 (4 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-20130172312-A1 Azetidine Derivatives GPR119, LIPE, LPL CRHR1 4028/4885UHRF1 3066/4885CCR1 4184/4885
US-20160200725-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS FGFR1, FGFR3, FGFR2 CRHR1 4384/4885UHRF1 3097/4885CCR1 4397/4885
US-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 CRHR1 211/4885UHRF1 4193/4885CCR1 423/4885
US-20160229849-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS FGFR1, FGFR3, FGFR2 CRHR1 4384/4885UHRF1 3097/4885CCR1 4397/4885

“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.