SCHEMBL15529586

SCHEMBL15529586

COCCOc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.90

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 15/20 0.90
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
MAPT P10636 1/20 0.63
CYP2C19 P33261 1/20 0.63
P2RX1 P51575 1/20 0.60
KCNK3 O14649 1/20 0.60
KCNK9 Q9NPC2 1/20 0.60

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
SCHEMBL15528748 0.95 RXFP1 (1.00) RXFP1
SCHEMBL15614717 0.90 RXFP1 (0.74) RXFP1CYP1A2CYP3A4MAPTCYP2C19
SCHEMBL15529774 0.88 RXFP1 (0.90) RXFP1CYP1A2CYP3A4MAPTCYP2C19
SCHEMBL15529831 0.87 RXFP1 (0.90) RXFP1CYP1A2CYP3A4MAPTCYP2C19
SCHEMBL5491795 0.87 RXFP1 (0.88) RXFP1CYP1A2CYP3A4MAPTCYP2C19
SCHEMBL15529490 0.83 RXFP1 (1.00) RXFP1
SCHEMBL15529153 0.83 RXFP1 (1.00) RXFP1KCNK3KCNK9
SCHEMBL15529412 0.82 RXFP1 (1.00) RXFP1
SCHEMBL2699662 0.82 RXFP1 (0.69) RXFP1CYP1A2CYP3A4MAPTCYP2C19
SCHEMBL15529584 0.82 RXFP1 (0.91) RXFP1CYP1A2CYP3A4MAPTCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2844345-B1 MODULATORS OF THE RELAXIN RECEPTOR 1 US HEALTH (US) 2022-08-03 EP disclosed
US-10125112-B2 Modulators of the relaxin receptor 1 THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2018-11-13 US disclosed
US-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE UNITED STATES OF AMERICA AS REPRESENTED BY SECRETARY DEPT OF HEALTH AND HUMAN SERVICE (US) 2017-05-25 US disclosed
US-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE UNITED STATES OF AMERICA AS REPRESENTED BY SECRETARY DEPT OF HEALTH AND HUMAN SERVICE (US) 2017-05-25 US disclosed
US-9452973-B2 Modulators of the relaxin receptor 1 THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-09-27 US disclosed
US-9452973-B2 Modulators of the relaxin receptor 1 THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-09-27 US disclosed
US-20150119426-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES 2015-04-30 US disclosed
US-20150119426-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES 2015-04-30 US disclosed
EP-2844345-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 The United States of America, as Represented by The Secretary, Department of Health and Human Services (US) 2015-03-11 EP disclosed
WO-2013165606-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-11-07 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 (3 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-20150119426-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 RXFP1, RXFP2, RXFP3 RXFP1 1/4885CYP1A2 1924/4885CYP3A4 3240/4885
US-10125112-B2 Modulators of the relaxin receptor 1 RXFP1, RXFP2, RXFP3 RXFP1 1/4885CYP1A2 1924/4885CYP3A4 3240/4885
US-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 RXFP1, RXFP2, RXFP3 RXFP1 1/4885CYP1A2 1924/4885CYP3A4 3240/4885

“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.