SCHEMBL15955871

SCHEMBL15955871

COc1ccc(N(CC2CC2)C(=O)N2CCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
HPGD P15428 3/20 0.48
GAA P10253 1/20 0.46
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
ACHE P22303 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TNKS O95271 2/20 0.43
TNKS2 Q9H2K2 2/20 0.43
OPRM1 P35372 2/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
TP53 P04637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL30677762 0.83 EPHX2 (0.49) GAAALDH1A1POLBL3MBTL1
SCHEMBL29472505 0.82 NCOA1 (0.52) KMT2AMEN1SMN1; SMN2HPGDALDH1A1
SCHEMBL15963319 0.82 NPC1 (0.53) KMT2AMEN1SMN1; SMN2ALDH1A1TSHR
SCHEMBL30677800 0.79 EPHX2 (0.48) GAAALDH1A1POLBL3MBTL1
SCHEMBL30677806 0.79 EPHX2 (0.48) GAAALDH1A1POLBL3MBTL1
SCHEMBL11470004 0.79 DRD2 (0.46) CHRM5CHRM1CHRM3ACHEOPRM1
SCHEMBL15963457 0.79 AKR1C3 (0.44) KMT2AMEN1ACHEALDH1A1TSHR
SCHEMBL15963460 0.79 SMN1; SMN2 (0.52) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL15963190 0.77 MAPT (0.46) KMT2AMEN1SMN1; SMN2HPGDACHE
SCHEMBL9117266 0.75 GPR88 (0.42) SMN1; SMN2CHRM5CHRM1CHRM3ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170327512-A1 MODULATORS OF VASOPRESSIN RECEPTORS WITH THERAPEUTIC POTENTIAL SCRIPPS RESEARCH INST (US) 2017-11-16 US disclosed
US-20150376198-A1 MODULATORS OF VASOPRESSIN RECEPTORS WITH THERAPEUTIC POTENTIAL NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-12-31 US disclosed
EP-2956441-A1 MODULATORS OF VASOPRESSIN RECEPTORS WITH THERAPEUTIC POTENTIAL The Scripps Research Institute (US) 2015-12-23 EP disclosed
WO-2014127350-A1 MODULATORS OF VASOPRESSIN RECEPTORS WITH THERAPEUTIC POTENTIAL THE SCRIPPS RESEARCH INSTITUTE (US) 2014-08-21 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 (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-20150376198-A1 MODULATORS OF VASOPRESSIN RECEPTORS WITH THERAPEUTIC POTENTIAL AVPR2, AVPR1A, AVPR1B KMT2A 3820/4885MEN1 1216/4885SMN1; SMN2 4422/4885
US-20170327512-A1 MODULATORS OF VASOPRESSIN RECEPTORS WITH THERAPEUTIC POTENTIAL AVPR2, AVPR1A, AVPR1B KMT2A 3820/4885MEN1 1216/4885SMN1; SMN2 4422/4885

“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.