SCHEMBL3494596

SCHEMBL3494596

COc1cccc(-n2c(C)cc(C(=O)O)c2-c2ccccc2)c1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 11/20 0.71
LMNA P02545 1/20 0.53
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
THRB P10828 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL3491845 0.87 NOTUM (0.57) NOTUMLMNAALDH1A1KDM4EHPGD
SCHEMBL3491793 0.86 NOTUM (0.68) NOTUMLMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL27570085 0.84 ALDH1A1 (0.63) NOTUMALDH1A1KDM4EKMT2A
SCHEMBL3495076 0.84 NOTUM (0.54) NOTUMLMNAALDH1A1KDM4EKMT2A
SCHEMBL27538858 0.84 NOTUM (0.70) NOTUMALDH1A1
SCHEMBL28745134 0.84 ALDH1A1 (0.55) NOTUMALDH1A1KDM4EHPGDNPSR1
SCHEMBL3494283 0.83 MAPT (0.54) NOTUMLMNAALDH1A1KDM4EHPGD
SCHEMBL3494799 0.83 NOTUM (0.52) NOTUMALDH1A1KDM4EKMT2A
SCHEMBL27535983 0.83 NOTUM (0.71) NOTUMLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL27539158 0.83 NOTUM (0.52) NOTUMALDH1A1KDM4EKMT2A

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 NOTUM 1289/4885LMNA 201/4885ALDH1A1 1062/4885
US-20140178503-A1 CYCLOHEXYL UREA MODULATORS OF D2 RECEPTORS AND/OR D3 RECEPTORS UTS2R, VDR, PTGDR NOTUM 4180/4885LMNA 4564/4885ALDH1A1 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.