SCHEMBL5981601

SCHEMBL5981601

COc1ccc(F)c(CC(N)C(=O)OC(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 2/20 0.44
KIF11 P52732 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR2A P28223 1/20 0.40
LTA4H P09960 1/20 0.39

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
SCHEMBL21029380 0.90 KIF11 (0.42) MTNR1BKIF11HTR2ALTA4H
SCHEMBL24899435 0.86 MTNR1B (0.47) MTNR1BCHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL6465672 0.81 KIF11 (0.48) MTNR1BKIF11
Hydrochloric Acid SCHEMBL6465670 0.81 KIF11 (0.48) MTNR1BKIF11
SCHEMBL5981452 0.80 PSEN1 (0.40) LTA4H
SCHEMBL21029351 0.80 TAAR1 (0.44) MTNR1BKIF11LTA4H
SCHEMBL19664068 0.80 CTSS (0.49) LTA4H
SCHEMBL10561527 0.80 CTSS (0.49) LTA4H
SCHEMBL30476035 0.80 CTSS (0.49) LTA4H
SCHEMBL106531 0.78 LDHA (0.53) LTA4H

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-7115766-B2 Nucleophilic approach for preparing radiolabeled imaging agents and associated compounds INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORP. (US) 2006-10-03 US disclosed
US-20040034246-A1 Nucleophilic approach for preparing radiolabeled imaging agents and associated compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-02-19 US disclosed
WO-2002044144-A2 NUCLEOPHILIC APPROACH FOR PREPARING RADIOLABELED IMAGING AGENTS AND ASSOCIATED COMPOUNDS ADVANCED RESEARCH AND TECHNOLOGY INSTITUTE, INC. (US) 2002-06-06 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 (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-20040034246-A1 Nucleophilic approach for preparing radiolabeled imaging agents and associated compounds SNCA, PARK7, SAMHD1 MTNR1B 1881/4885KIF11 1832/4885CHRM2 2703/4885

“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.