SCHEMBL16670141

SCHEMBL16670141

O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1-c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.69
P2RX1 P51575 1/20 0.69
RXFP1 Q9HBX9 11/20 0.68
PTGS1 P23219 1/20 0.67
CHRNB2 P17787 1/20 0.66
CHRNB4 P30926 1/20 0.66
CHRNA3 P32297 1/20 0.66
CHRNA4 P43681 1/20 0.66
ALDH1A1 P00352 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
TP53 P04637 1/20 0.61
MEN1 O00255 1/20 0.61
MAPT P10636 1/20 0.61
RAB9A P51151 1/20 0.61
KMT2A Q03164 1/20 0.61
KDM4E B2RXH2 1/20 0.61
GAA P10253 1/20 0.61

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
SCHEMBL29561761 1.00 HTT (0.69) HTTP2RX1RXFP1PTGS1CHRNB2
SCHEMBL1703241 0.88 RXFP1 (0.68) P2RX1RXFP1PTGS1MEN1MAPT
SCHEMBL7814990 0.85 P2RX1 (0.74) HTTP2RX1RXFP1PTGS1MEN1
SCHEMBL31393757 0.85 CHRNB2 (0.71) HTTPTGS1CHRNB2CHRNB4CHRNA3
SCHEMBL7605815 0.84 APOB (0.63) HTTRXFP1PTGS1CHRNB2CHRNB4
SCHEMBL6799012 0.84 APOB (0.66) HTTRXFP1CHRNB2CHRNB4CHRNA3
SCHEMBL25149266 0.83 P2RX1 (0.64) P2RX1RXFP1PTGS1
Hydrochloric Acid SCHEMBL7607266 0.83 APOB (0.65) HTTRXFP1CHRNB2CHRNB4CHRNA3
SCHEMBL14150061 0.83 RXFP1 (0.64) P2RX1RXFP1PTGS1ALDH1A1MEN1
SCHEMBL16127831 0.82 RXFP1 (0.76) P2RX1RXFP1PTGS1MAPT

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 8 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

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 HTT 3118/4885P2RX1 357/4885RXFP1 1/4885
US-10125112-B2 Modulators of the relaxin receptor 1 RXFP1, RXFP2, RXFP3 HTT 3118/4885P2RX1 357/4885RXFP1 1/4885
US-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 RXFP1, RXFP2, RXFP3 HTT 3118/4885P2RX1 357/4885RXFP1 1/4885

“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.