SCHEMBL764332

SCHEMBL764332

Cc1ccc(-c2ccc(C(=O)N(C)C)cc2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 3/20 0.50
CCR1 P32246 1/20 0.47
CCR5 P51681 1/20 0.47
CCR8 P51685 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CYP3A4 P08684 5/20 0.46
CYP2A6 P11509 1/20 0.46
CYP1A2 P05177 6/20 0.46
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 5/20 0.46
HPGD P15428 3/20 0.46
ALOX15 P16050 3/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP2C19 P33261 2/20 0.46
CLK4 Q9HAZ1 5/20 0.45
CYP2C9 P11712 2/20 0.45
CSNK2A1 P68400 1/20 0.45
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 3/20 0.44

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
SCHEMBL31145162 0.81 SMN1; SMN2 (0.64) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL4463638 0.81 SMN1; SMN2 (0.64) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL10332007 0.80 SMN1; SMN2 (0.71) ATRCYP3A4CYP1A2ALDH1A1HSD17B10
SCHEMBL10331376 0.80 EPHX2 (0.48) ATRCYP3A4CYP1A2ALDH1A1HSD17B10
SCHEMBL16574187 0.79 ALDH1A1 (0.55) ATRCYP3A4CYP1A2ALDH1A1HPGD
SCHEMBL17051514 0.78 CCR1 (0.75) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL13589741 0.77 LDHA (0.56) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL12409679 0.77 BAZ2B (0.65) ATRCCR1CCR5CCR8HDAC6
SCHEMBL31145166 0.77 TDP1 (0.59) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL4469903 0.77 TDP1 (0.59) CCR1CCR5CCR8HDAC6CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181183-B2 Prostaglandin D synthase inhibitory piperidine compounds TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US disclosed
US-9181183-B2 Prostaglandin D synthase inhibitory piperidine compounds TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US disclosed
US-20130165438-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-27 US disclosed
US-20130165438-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-27 US disclosed
EP-2078015-B1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2012-03-21 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 (1 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-20130165438-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS PTGIS, PTGS1, PTGDR ATR 4656/4885CCR1 2429/4885CCR5 934/4885

“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.