SCHEMBL3494924

SCHEMBL3494924

CCOC(=O)CCc1cc(OC)c(OC)c(-n2c(C)cc(C(=O)OCc3ccccc3)c2-c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
PDE4B Q07343 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE7A Q13946 1/20 0.42
PDE3A Q14432 1/20 0.42
PDE7B Q9NP56 1/20 0.42
ALOX5 P09917 1/20 0.42
ATM Q13315 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GALR3 O60755 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
APP P05067 1/20 0.37
NTRK1 P04629 1/20 0.37

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
SCHEMBL3494831 0.90 KMT2A (0.48) KMT2AALOX5ATMNPC1RAB9A
SCHEMBL8236282 0.87 PDE4B (0.40) KMT2APDE4BPDE4DPDE7APDE3A
SCHEMBL4985664 0.83 PDE4B (0.43) KMT2APDE4BPDE4DPDE7APDE3A
SCHEMBL3492624 0.79 MAPT (0.41) KMT2ANPC1RAB9ATSHRALDH1A1
SCHEMBL3495101 0.78 CA1 (0.38) KMT2AATMLMNAPOLB
SCHEMBL3494927 0.78 KMT2A (0.43) KMT2AALOX5ATMNPC1RAB9A
SCHEMBL3493425 0.77 MAPT (0.53) KMT2ARAB9ATSHRALDH1A1KDM4E
SCHEMBL3493942 0.74 TSHR (0.47) KMT2ATSHRALDH1A1TDP1KDM4E
SCHEMBL8235805 0.73 ALDH1A1 (0.50) KMT2AALDH1A1KDM4EHPGDLMNA
SCHEMBL3493832 0.71 MAPT (0.71) TSHRALDH1A1TDP1KDM4EHPGD

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 KMT2A 952/4885PDE4B 2252/4885PDE4D 3360/4885
US-20140178503-A1 CYCLOHEXYL UREA MODULATORS OF D2 RECEPTORS AND/OR D3 RECEPTORS UTS2R, VDR, PTGDR KMT2A 4168/4885PDE4B 573/4885PDE4D 272/4885

“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.