SCHEMBL4591723

SCHEMBL4591723

CCC(=O)NC1CCCC[N]1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
EPHX1 P07099 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
EPHX2 P34913 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL4592100 0.94 MTNR1A (0.35) MTNR1AMTNR1BEPHX1SMN1; SMN2NPSR1
SCHEMBL1259506 0.80 L3MBTL1 (0.46) MTNR1AMTNR1BSMN1; SMN2KDM4E
SCHEMBL714408 0.79 ALDH1A1 (0.36) EPHX1SMN1; SMN2EPHX2KDM4EALDH1A1
SCHEMBL9674784 0.77 HSD11B1 (0.41) EPHX1ALDH1A1LMNA
SCHEMBL4592222 0.77 HSD11B1 (0.43) EPHX1SMN1; SMN2EPHX2ALDH1A1LMNA
SCHEMBL8724 0.77 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL5868732 0.76 EPHX1 (0.33) EPHX1SMN1; SMN2EPHX2KDM4EALDH1A1
SCHEMBL8112253 0.76 TRPV1 (0.49) SMN1; SMN2
SCHEMBL715893 0.72
SCHEMBL7510488 0.71 GNAI3 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943231-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-16 EP disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
WO-2007048802-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 WO disclosed
EP-0055444-B1 TRISUBSTITUTED PYRIMIDO(5,4-D)PYRIMIDINES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1985-03-20 EP disclosed
US-4478833-A ANTICOAGULANTS DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-10-23 US disclosed
EP-0055444-A2 Trisubstituted pyrimido(5,4-d)pyrimidines, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1982-07-07 EP 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 (1 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-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 MTNR1A 17/4885MTNR1B 11/4885EPHX1 2641/4885

“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.