SCHEMBL16674535

SCHEMBL16674535

CC(C)C(=O)c1ccccc1OCCN1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.56
ABCB1 P08183 1/20 0.55
KDM4E B2RXH2 3/20 0.51
EPHX2 P34913 3/20 0.49
ALDH1A1 P00352 3/20 0.48
POLB P06746 2/20 0.48
KMT2A Q03164 2/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
DRD3 P35462 3/20 0.47
DRD2 P14416 2/20 0.46
DRD1 P21728 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
MAPT P10636 1/20 0.44
ACKR3 P25106 1/20 0.43
HTR7 P34969 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
SCHEMBL16676642 0.88 RXFP1 (0.61) RXFP1ABCB1KDM4EEPHX2ALDH1A1
SCHEMBL2157285 0.82 KDM4E (0.55) RXFP1ABCB1KDM4EEPHX2ALDH1A1
SCHEMBL10550248 0.81 MEN1 (0.70) ABCB1KDM4EALDH1A1POLBKMT2A
SCHEMBL16674505 0.79 KDM4E (0.54) ABCB1KDM4EALDH1A1POLBKMT2A
SCHEMBL16674495 0.79 POLB (0.62) ABCB1KDM4EALDH1A1POLBKMT2A
SCHEMBL18135536 0.79 KCNA5 (0.64) EPHX2ALDH1A1KMT2AMEN1DRD3
SCHEMBL5378527 0.78 CYP1A2 (0.52) RXFP1KDM4EEPHX2ALDH1A1KMT2A
SCHEMBL21712258 0.77 RXFP1 (0.51) RXFP1ABCB1EPHX2DRD3DRD2
SCHEMBL30824828 0.77 RXFP1 (0.52) RXFP1ABCB1EPHX2ALDH1A1KMT2A
SCHEMBL27390612 0.77 RXFP1 (0.52) RXFP1ABCB1EPHX2ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (2 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 1/4885ABCB1 3683/4885KDM4E 4395/4885
US-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 RXFP1, RXFP2, RXFP3 RXFP1 1/4885ABCB1 3683/4885KDM4E 4395/4885

“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.