SCHEMBL14658441

SCHEMBL14658441

CC1(C)OB(c2ccc3[nH]c(C(F)(F)F)nc3c2)OC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.45
KDM4E B2RXH2 4/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 2/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
LPL P06858 4/20 0.38
LIPG Q9Y5X9 4/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
F2 P00734 1/20 0.34
F11 P03951 1/20 0.34
PRSS1 P07477 1/20 0.34

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
SCHEMBL20639670 0.84 HTR7 (0.41) NPSR1KDM4EMAPTHPGDPOLB
SCHEMBL19965243 0.80 LPL (0.40) KDM4EMAPTHPGDPOLBALDH1A1
SCHEMBL3132769 0.79 FABP6 (0.42) ALDH1A1LPLLIPGF11SNCA
SCHEMBL28483833 0.79 LPL (0.39) LPLLIPGIDO1TDO2SNCA
SCHEMBL30016416 0.79 FABP6 (0.42) ALDH1A1LPLLIPGF11SNCA
SCHEMBL16655694 0.79 LPL (0.39) LPLLIPGF11IDO1TDO2
SCHEMBL13201515 0.77 DDAH1 (0.46) LPLLIPGHTTF11SNCA
SCHEMBL10326353 0.75 NPBWR1 (0.51) LPLLIPG
SCHEMBL14191741 0.75 RAB9A (0.41) POLBALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL743909 0.75 LPL (0.40) KDM4ELPLLIPGF2F11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3928836-B1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-09-18 EP disclosed
EP-3377483-B9 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2022-08-03 EP disclosed
EP-3928836-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2021-12-29 EP disclosed
EP-2736886-B1 SUBSTITUTED QUINOLINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2016-09-14 EP disclosed
US-9199937-B2 Substituted quinolines and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-12-01 US disclosed
US-20150065489-A1 Substituted Quinolines and Their Use As Medicaments BOEHRINGER INGELHEIM INT (DE) 2015-03-05 US disclosed
US-8912173-B2 Substituted quinolines and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-16 US disclosed
US-20130029949-A1 Substituted Quinolines and Their Use As Medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 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-20130029949-A1 Substituted Quinolines and Their Use As Medicaments QARS1, RECQL, CYP3A7 NPSR1 515/4885KDM4E 2395/4885MAPT 3662/4885
US-20150065489-A1 Substituted Quinolines and Their Use As Medicaments QARS1, RECQL, CYP3A7 NPSR1 515/4885KDM4E 2395/4885MAPT 3662/4885

“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.