SCHEMBL3491561

SCHEMBL3491561

Cc1cc(C(=O)O)c(-c2ccccc2)n1-c1ccccc1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 6/20 0.48
MCL1 Q07820 2/20 0.46
DHODH Q02127 2/20 0.45
NOTUM Q6P988 3/20 0.45
MYC P01106 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
FOLH1 Q04609 1/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
AVPR2 P30518 1/20 0.43
AVPR1A P37288 1/20 0.43

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
SCHEMBL8238361 0.92 MAPT (0.48) PTGER1MCL1DHODHMRGPRX4AVPR2
SCHEMBL3493942 0.89 TSHR (0.47) PTGER1
SCHEMBL3493113 0.79 NOTUM (0.53) DHODHNOTUMMRGPRX4
SCHEMBL4985604 0.78 HTR1A (0.41) PTGER1DHODHAVPR2AVPR1A
SCHEMBL3494052 0.77 NOTUM (0.55) NOTUMMYC
SCHEMBL3491793 0.76 NOTUM (0.68) NOTUMMYC
SCHEMBL3493945 0.76 PTGER1 (0.42) PTGER1MRGPRX4FOLH1RXRARXRB
SCHEMBL4884642 0.75 PTGER1 (0.81) PTGER1MRGPRX4
SCHEMBL3494813 0.73 NOTUM (0.48) PTGER1DHODHNOTUMMRGPRX4
SCHEMBL3495076 0.72 NOTUM (0.54) NOTUMMYC

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-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
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 (1 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 PTGER1 896/4885MCL1 4691/4885DHODH 3063/4885

“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.