SCHEMBL2608948

SCHEMBL2608948

CC(C)C(=O)NCCc1cccc2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.68
NQO2 P16083 3/20 0.67
MTNR1B P49286 7/20 0.54
CASP1 P29466 1/20 0.54
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53
TRPV1 Q8NER1 1/20 0.51

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
SCHEMBL17037443 0.90 MTNR1A (0.63) MTNR1ANQO2MTNR1BCASP1TRPV1
SCHEMBL14615503 0.90 MTNR1A (0.67) MTNR1ANQO2MTNR1BCASP1
SCHEMBL4403373 0.84 ANPEP (0.61) MTNR1AKMT2A
SCHEMBL29941181 0.84 MTNR1A (0.73) MTNR1ANQO2MTNR1B
SCHEMBL761446 0.84 MTNR1A (0.73) MTNR1ANQO2MTNR1B
SCHEMBL9128038 0.84 MTNR1A (0.63) MTNR1ANQO2MTNR1BCASP1KMT2A
SCHEMBL1567114 0.82 MTNR1A (0.73) MTNR1ANQO2MTNR1BKMT2ATRPV1
SCHEMBL8065745 0.81 MTNR1A (0.68) MTNR1ANQO2
SCHEMBL14974026 0.81 MTNR1A (0.59) MTNR1ANQO2MTNR1B
SCHEMBL9490563 0.81 MTNR1A (1.00) MTNR1ANQO2MTNR1B

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-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK CANADA INC. (CA) 2015-08-27 US disclosed
US-20120101091-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 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-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, TYRO3 MTNR1A 3955/4885NQO2 595/4885MTNR1B 3893/4885
US-20120101091-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E MTNR1A 908/4885NQO2 120/4885MTNR1B 696/4885

“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.