SCHEMBL3391601

SCHEMBL3391601

CN1CCN(c2ccc(-c3nc4cc5c(cc4[nH]3)CC3(C5)C(=O)NC(=O)N3C)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.53
▸ SOAT1 P35610 1/20 0.53
▸ KCNH2 Q12809 1/20 0.53
▸ ALDH1A1 P00352 5/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ TOP1 P11387 3/20 0.52
▸ TOP2A P11388 3/20 0.52
▸ HPGD P15428 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ TNKS O95271 2/20 0.50
▸ PARP1 P09874 2/20 0.50
▸ TNKS2 Q9H2K2 2/20 0.50
▸ MAPT P10636 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ BLM P54132 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ SLCO2B1 O94956 1/20 0.48
▸ GLA P06280 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ BCL2L1 Q07817 1/20 0.48

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
SCHEMBL12050631 0.93 NPBWR1 (0.51) DGAT1SOAT1KCNH2ALDH1A1SMN1; SMN2
SCHEMBL12050633 0.85 CALCRL (0.50) DGAT1KCNH2ALDH1A1SMN1; SMN2HPGD
SCHEMBL12050634 0.80 CALCRL (0.48) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL12971514 0.78 CALCA (0.48) DGAT1SOAT1KCNH2ALDH1A1SMN1; SMN2
SCHEMBL14535761 0.76 NPBWR1 (0.42) DGAT1KCNH2ALDH1A1SMN1; SMN2HPGD
SCHEMBL21017604 0.76 DGAT1 (0.63) DGAT1SOAT1KCNH2ALDH1A1SMN1; SMN2
SCHEMBL24075398 0.76 DGAT1 (0.66) DGAT1SOAT1KCNH2ALDH1A1SMN1; SMN2
SCHEMBL19137965 0.76 DGAT1 (0.63) DGAT1SOAT1KCNH2ALDH1A1SMN1; SMN2
SCHEMBL12050348 0.75 CALCRL (0.49) CALCRL
SCHEMBL12050621 0.75 CALCRL (0.45) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071770-B2 Spirohydantoin aryl CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-12-06 — — US disclosed
US-8071770-B2 Spirohydantoin aryl CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-12-06 — — US disclosed
US-8071770-B2 Spirohydantoin aryl CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-12-06 — — US disclosed
EP-1951251-B1 SPIROHYDANTOIN ARYL CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2010-12-29 — — EP disclosed
EP-1951251-B1 SPIROHYDANTOIN ARYL CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2010-12-29 — — EP disclosed
US-20090239870-A1 Spirohydantoin Aryl Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2009-09-24 — — US disclosed
US-20090239870-A1 Spirohydantoin Aryl Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2009-09-24 — — US disclosed
US-20090239870-A1 Spirohydantoin Aryl Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2009-09-24 — — US disclosed
WO-2007061676-A2 SPIROHYDANTOIN ARYL CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-05-31 — — 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-20090239870-A1 Spirohydantoin Aryl Cgrp Receptor Antagonists BDKRB1, BDKRB2, CALCRL DGAT1 4275/4885SOAT1 4374/4885KCNH2 281/4885

“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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