SCHEMBL15529653

SCHEMBL15529653

O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NCCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 19/20 1.00
▸ MEN1 O00255 1/20 0.72
▸ ALDH1A1 P00352 1/20 0.72
▸ LMNA P02545 1/20 0.72
▸ MAPT P10636 1/20 0.72
▸ HPGD P15428 1/20 0.72
▸ HTT P42858 1/20 0.72
▸ KMT2A Q03164 1/20 0.72
▸ NPSR1 Q6W5P4 1/20 0.72
▸ L3MBTL1 Q9Y468 1/20 0.72
▸ ABL1 P00519 1/20 0.67
▸ EGFR P00533 1/20 0.67
▸ CSF1R P07333 1/20 0.67
▸ PDGFRB P09619 1/20 0.67
▸ KIT P10721 1/20 0.67
▸ FLT1 P17948 1/20 0.67
▸ FLT4 P35916 1/20 0.67
▸ KDR P35968 1/20 0.67

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
SCHEMBL4981375 0.91 RXFP1 (0.84) RXFP1MEN1ALDH1A1LMNAMAPT
SCHEMBL4980974 0.89 RXFP1 (0.79) RXFP1MEN1ALDH1A1LMNAMAPT
SCHEMBL15529379 0.88 RXFP1 (1.00) RXFP1ABL1EGFRCSF1RPDGFRB
SCHEMBL5666682 0.87 RXFP1 (0.76) RXFP1MEN1ALDH1A1LMNAMAPT
SCHEMBL15528722 0.86 RXFP1 (1.00) RXFP1ABL1EGFRCSF1RPDGFRB
SCHEMBL15529123 0.84 RXFP1 (1.00) RXFP1ABL1EGFRCSF1RPDGFRB
SCHEMBL15530093 0.83 RXFP1 (1.00) RXFP1
SCHEMBL15529210 0.82 RXFP1 (1.00) RXFP1
SCHEMBL15529217 0.82 RXFP1 (0.81) RXFP1
SCHEMBL15528884 0.80 RXFP1 (1.00) RXFP1

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 1/4885MEN1 687/4885ALDH1A1 2561/4885
US-10125112-B2 Modulators of the relaxin receptor 1 RXFP1, RXFP2, RXFP3 RXFP1 1/4885MEN1 687/4885ALDH1A1 2561/4885
US-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 RXFP1, RXFP2, RXFP3 RXFP1 1/4885MEN1 687/4885ALDH1A1 2561/4885

“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.

Send feedback