SCHEMBL3494689

SCHEMBL3494689

Cc1cc(C(=O)O)c(-c2cccs2)n1-c1cccc(N2CCOCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.47
EZH2 Q15910 1/20 0.44
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
TP53 P04637 3/20 0.42
HSD17B10 Q99714 3/20 0.42
ALOX15 P16050 3/20 0.42
HPGD P15428 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 4/20 0.41
NOTUM Q6P988 4/20 0.41
GAA P10253 3/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL3492053 0.82 NOTUM (0.57) ALDH1A1KDM4ESMN1; SMN2TP53HSD17B10
SCHEMBL31025689 0.70 AR (0.56) KMOALDH1A1KDM4ESMN1; SMN2TP53
SCHEMBL3493385 0.70 NOTUM (0.50) ALDH1A1SMN1; SMN2HPGDMAPTNOTUM
SCHEMBL17503920 0.68 KLKB1 (0.69) KMOALDH1A1SMN1; SMN2NOTUMTSHR
SCHEMBL28580846 0.67 NPC1 (0.69) ALDH1A1KDM4ESMN1; SMN2TP53HSD17B10
SCHEMBL3493826 0.67 PIM1 (0.53) KMOALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL5037937 0.66 PRKDC (0.60) KMOALDH1A1KDM4ESMN1; SMN2TP53
SCHEMBL27329825 0.66 LMNA (0.71) KMOALDH1A1KDM4ESMN1; SMN2TP53
SCHEMBL3493543 0.66 PIM1 (0.52) KMOALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL30634127 0.66 KMO (1.00) KMOALDH1A1KDM4ESMN1; SMN2HSD17B10

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
US-20140178503-A1 CYCLOHEXYL UREA MODULATORS OF D2 RECEPTORS AND/OR D3 RECEPTORS AUSPEX PHARMACEUTICALS, INC. (US) 2014-06-26 US disclosed
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
EP-1984355-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION Takeda Pharmaceutical Company Limited (JP) 2008-10-29 EP disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 WO 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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension REN, AGTR1, AGTR2 KMO 501/4885EZH2 481/4885ALDH1A1 1062/4885
US-20140178503-A1 CYCLOHEXYL UREA MODULATORS OF D2 RECEPTORS AND/OR D3 RECEPTORS UTS2R, VDR, PTGDR KMO 3540/4885EZH2 4432/4885ALDH1A1 2454/4885

“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.