SCHEMBL3107611

SCHEMBL3107611

CCc1c(C(=O)O)[nH]c2ccc(C)cc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.71
CYP1A2 P05177 1/20 0.71
CYP2C9 P11712 1/20 0.71
CYP2C19 P33261 1/20 0.71
PPARG P37231 1/20 0.71
HIF1A Q16665 1/20 0.71
NPSR1 Q6W5P4 1/20 0.71
RXFP1 Q9HBX9 1/20 0.71
NR2E3 Q9Y5X4 1/20 0.71
NCOR2 Q9Y618 1/20 0.71
EGFR P00533 4/20 0.62
CDK2 P24941 3/20 0.62
KDM4E B2RXH2 5/20 0.58
ALDH1A1 P00352 4/20 0.58
HSD17B10 Q99714 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
HPGD P15428 2/20 0.58
HTT P42858 1/20 0.58
GFER P55789 1/20 0.58

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
SCHEMBL9449433 0.86 KDM4E (0.73) PRNPCYP1A2CYP2C9CYP2C19PPARG
SCHEMBL30890023 0.86 KDM4E (0.73) PRNPCYP1A2CYP2C9CYP2C19PPARG
SCHEMBL1553071 0.84 NPSR1 (0.71) PRNPCYP1A2CYP2C9CYP2C19PPARG
SCHEMBL16943501 0.84 ALDH1A1 (0.71) PRNPCYP1A2CYP2C9CYP2C19PPARG
SCHEMBL20094576 0.84 KDM4E (0.70) EGFRKDM4EALDH1A1HSD17B10MEN1
SCHEMBL14865011 0.83 MAPT (0.60) PRNPCYP1A2CYP2C9CYP2C19PPARG
SCHEMBL2538695 0.83 PRNP (0.69) PRNPCYP1A2CYP2C9CYP2C19PPARG
SCHEMBL8959541 0.83 PRNP (0.69) PRNPCYP1A2CYP2C9CYP2C19PPARG
SCHEMBL1894184 0.83 RXFP1 (1.00) PRNPCYP1A2CYP2C9CYP2C19PPARG
SCHEMBL3091494 0.82 KDM4E (0.66) PRNPCYP1A2CYP2C9CYP2C19PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220412952-A1 USE OF A CHEMIRESISTOR SENSOR FOR IMPROVING HEALTH NANOSCENT LTD. (IL) 2022-12-29 US disclosed
WO-2021111435-A9 USE OF A CHEMIRESISTOR SENSOR FOR IMPROVING HEALTH NANOSCENT LTD. (IL) 2021-09-10 WO disclosed
WO-2021111435-A1 USE OF A CHEMIRESISTOR SENSOR FOR IMPROVING HEALTH NANOSCENT LTD. (IL) 2021-06-10 WO disclosed
US-8071622-B2 1-[1-(6-Methoxy-1H-indole-2-carbonyl)-piperidin-4-yl]-1,3-dihydro-benzoimidazol-2-one; vasopressin receptors antagonist; antidepressant, anxiolytic agent; dysmenorrhea, hypertension, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder HOFFMAN-LA ROCHE INC. (US) 2011-12-06 US disclosed
US-7799923-B2 Vasopressin receptor antagonists; (4-Benzotriazol-1-yl-piperidin-1-yl)-(5-chloro-1H-indol-2-yl)-methanone; antidepressants, anxiolytic agents; dysmenorrhea, hypertension, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder HOFFMANN-LA ROCHE INC. (US) 2010-09-21 US disclosed
EP-2089381-B1 INDOLES WHICH ACT AS VIA RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-06-30 EP disclosed
CN-101541786-A Indoles as V1a receptor antagonists HOFFMANN LA ROCHE (CH) 2009-09-23 CN disclosed
EP-2089381-A1 INDOLES WHICH ACT AS VIA RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-08-19 EP disclosed
US-20080269290-A1 Indoles F. HOFFMANN-LA ROCHE AG (CH) 2008-10-30 US disclosed
US-20080139618-A1 INDOLES HOFFMAN-LA ROCHE INC. 2008-06-12 US disclosed
WO-2008068184-A1 INDOLES WHICH ACT AS VIA RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 WO disclosed
US-20080139548-A1 INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 US disclosed
US-20080139617-A1 INDOLES HOFFMAN-LA ROCHE INC. 2008-06-12 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 (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-20080139548-A1 INDOLES HTR1A, AVPR1A, TPH1 PRNP 1687/4885CYP1A2 210/4885CYP2C9 768/4885
US-20080139617-A1 INDOLES HTR1A, AVPR1A, TPH1 PRNP 1687/4885CYP1A2 210/4885CYP2C9 768/4885
US-20080269290-A1 Indoles HTR1A, AVPR1A, TPH1 PRNP 1687/4885CYP1A2 210/4885CYP2C9 768/4885
US-20080139618-A1 INDOLES HTR1A, AVPR1A, TPH1 PRNP 1687/4885CYP1A2 210/4885CYP2C9 768/4885

“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.