SCHEMBL10550248

SCHEMBL10550248

CC(C)C(=O)c1ccccc1OCCN1CCCCC1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
GAA P10253 1/20 0.70
DRD2 P14416 2/20 0.64
DRD1 P21728 2/20 0.64
DRD3 P35462 2/20 0.64
MAPT P10636 1/20 0.64
ABCB1 P08183 2/20 0.61
KDM4E B2RXH2 6/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
L3MBTL1 Q9Y468 3/20 0.57
ALDH1A1 P00352 3/20 0.56
TDP1 Q9NUW8 1/20 0.56
TSHR P16473 1/20 0.55
HRH1 P35367 2/20 0.53
DRD4 P21917 1/20 0.53
DRD5 P21918 1/20 0.53
POLB P06746 1/20 0.53
RAB9A P51151 1/20 0.53

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
SCHEMBL16674495 0.87 POLB (0.62) MEN1KMT2AGAADRD2DRD1
SCHEMBL16674505 0.87 KDM4E (0.54) MEN1KMT2AGAADRD2DRD1
SCHEMBL1286685 0.85 MAPT (0.81) MEN1KMT2AGAADRD2DRD1
SCHEMBL11712503 0.85 DRD2 (0.72) MEN1KMT2AGAADRD2DRD1
SCHEMBL11712364 0.85 DRD2 (0.72) MEN1KMT2AGAADRD2DRD1
SCHEMBL11801298 0.85 DRD2 (0.72) MEN1KMT2AGAADRD2DRD1
SCHEMBL11730898 0.85 DRD2 (0.72) MEN1KMT2AGAADRD2DRD1
SCHEMBL8401002 0.83 DRD2 (0.75) MEN1KMT2AGAADRD2DRD1
SCHEMBL11365759 0.83 DRD2 (0.75) MEN1KMT2AGAADRD2DRD1
SCHEMBL11804646 0.83 DRD2 (0.74) MEN1KMT2AGAADRD2DRD1

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 7 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-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
US-4831051-A CALCIUM ANTAGONIST; ANTIARRHYTHMIA, HYPOTENSIVE AND CARDIOTONIC AGENTS; VASODILATION DELANDE S.A. (FR) 1989-05-16 US disclosed
US-4732896-A ANTAGONIST TO CALCIUM DELALANDE S.A. (FR) 1988-03-22 US disclosed
US-4536500-A ANTAGONISTIC ACTIVITY TO CALCIUM DELALANDE S.A. (FR) 1985-08-20 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 MEN1 687/4885KMT2A 4449/4885GAA 3991/4885
US-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 RXFP1, RXFP2, RXFP3 MEN1 687/4885KMT2A 4449/4885GAA 3991/4885

“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.