SCHEMBL12430572

SCHEMBL12430572

O=CCn1c(=O)n2c3c(cccc31)N(c1ccccc1)C(=O)C2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.38
▸ ENPP2 Q13822 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CALCRL Q16602 2/20 0.33
▸ ALDH1A1 P00352 6/20 0.33
▸ GAA P10253 3/20 0.33
▸ CES2 O00748 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ GFER P55789 1/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ ELANE P08246 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL261506 0.81 CALCRL (0.46) CALCRL
SCHEMBL261479 0.76 CALCRL (0.32) CALCRL
SCHEMBL261540 0.71 CALCRL (0.47) CALCRL
SCHEMBL261150 0.69 CALCRL (0.45) MEN1KMT2ACALCRLALDH1A1
SCHEMBL12431292 0.66 ALDH1A1 (0.43) HPGDMEN1KMT2AALDH1A1GAA
SCHEMBL261429 0.65 CALCRL (0.54) MEN1KMT2ACALCRL
SCHEMBL261470 0.65 CALCRL (0.34) CALCRL
SCHEMBL261520 0.65 CALCRL (0.46) KMT2ACALCRL
SCHEMBL261539 0.64 — —
SCHEMBL261541 0.64 CALCRL (0.33) CALCRL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1794146-B1 TRICYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2011-08-03 — — EP disclosed
US-7750010-B2 Tricyclic anilide spirohydantion CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-07-06 — — US disclosed
US-7750010-B2 Tricyclic anilide spirohydantion CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-07-06 — — US disclosed
US-20090221535-A1 IMMUNOGENIC COMPOSITIONS FOR GRAM POSITIVE BACTERIA SUCH AS STREPTOCOCCUS AGALACTIAE MERCK SHARP & DOHME LLC 2009-09-03 — — US disclosed
US-20090221535-A1 IMMUNOGENIC COMPOSITIONS FOR GRAM POSITIVE BACTERIA SUCH AS STREPTOCOCCUS AGALACTIAE MERCK SHARP & DOHME LLC 2009-09-03 — — 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 (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-20090221535-A1 IMMUNOGENIC COMPOSITIONS FOR GRAM POSITIVE BACTERIA SUCH AS STREPTOCOCCUS AGALACTIAE C1R, CALCB, MRGPRX2 HPGD 1480/4885ENPP2 323/4885MEN1 677/4885

“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.

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