SCHEMBL16670220

SCHEMBL16670220

COC(=O)c1cccc(NC(=O)C2CCCCC2)c1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.77
KCNK3 O14649 1/20 0.65
KCNK9 Q9NPC2 1/20 0.65
NPSR1 Q6W5P4 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
HSD17B10 Q99714 1/20 0.62
HPGD P15428 2/20 0.62
RHOA P61586 1/20 0.61
LMNA P02545 1/20 0.60
PPM1B O75688 1/20 0.59
GAA P10253 1/20 0.58
RAB9A P51151 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57

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
SCHEMBL18664786 0.87 ALDH1A1 (1.00) ALDH1A1KCNK3KCNK9NPSR1SMN1; SMN2
SCHEMBL1641800 0.87 ALDH1A1 (0.79) ALDH1A1KCNK3KCNK9NPSR1SMN1; SMN2
SCHEMBL23070448 0.84 ALDH1A1 (0.78) ALDH1A1KCNK3KCNK9NPSR1SMN1; SMN2
SCHEMBL694044 0.82 MAPT (0.74) ALDH1A1NPSR1SMN1; SMN2HSD17B10HPGD
SCHEMBL9532585 0.82 ALDH1A1 (0.91) ALDH1A1KCNK3KCNK9NPSR1SMN1; SMN2
SCHEMBL25938747 0.82 MTNR1A (0.71) ALDH1A1NPSR1SMN1; SMN2LMNARAB9A
SCHEMBL30605277 0.82 MTNR1A (0.71) ALDH1A1NPSR1SMN1; SMN2LMNARAB9A
SCHEMBL2650184 0.81 MAPT (0.71) ALDH1A1NPSR1SMN1; SMN2HSD17B10HPGD
SCHEMBL15576244 0.80 ALDH1A1 (0.71) ALDH1A1KCNK3KCNK9NPSR1SMN1; SMN2
SCHEMBL12302912 0.80 MTNR1A (0.73) ALDH1A1NPSR1SMN1; SMN2RAB9A

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 11 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-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-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
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 ALDH1A1 2561/4885KCNK3 2248/4885KCNK9 1967/4885
US-10125112-B2 Modulators of the relaxin receptor 1 RXFP1, RXFP2, RXFP3 ALDH1A1 2561/4885KCNK3 2248/4885KCNK9 1967/4885
US-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 RXFP1, RXFP2, RXFP3 ALDH1A1 2561/4885KCNK3 2248/4885KCNK9 1967/4885

“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.