SCHEMBL12377512

SCHEMBL12377512

CCCC(=O)Nc1ccc2c(c1)CC1(CCNC1=O)C2

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 5/20 0.54
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 4/20 0.49
HPGD P15428 3/20 0.49
MAPT P10636 1/20 0.48
PTPRC P08575 2/20 0.43
TP53 P04637 1/20 0.43
ALOX12 P18054 1/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.40
NAMPT P43490 1/20 0.40

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
SCHEMBL12362490 0.86 CALCRL (0.55) CALCRLRAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL12020653 0.84 CALCRL (0.55) CALCRLRAB9ANPC1MAPTLMNA
SCHEMBL12362409 0.79 CALCRL (0.45) CALCRL
SCHEMBL12377500 0.74 RAB9A (0.55) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL846246 0.74 ADM2 (0.63) CALCRL
SCHEMBL14233060 0.74 CALCRL (0.58) CALCRLMAPTTP53LMNA
SCHEMBL12362515 0.73 CALCRL (0.60) CALCRLALDH1A1MAPTTP53LMNA
SCHEMBL12655225 0.72 CALCRL (0.63) CALCRLRAB9ANPC1ALDH1A1KDM4E
SCHEMBL12362509 0.72 CALCRL (0.74) CALCRL
SCHEMBL21084102 0.72 CRBN (0.41) CALCRLRAB9ANPC1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989624-B2 Aryl spirolactam CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-08-02 US disclosed
US-20080004304-A1 Aryl Spirolactam Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-01-03 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-20080004304-A1 Aryl Spirolactam Cgrp Receptor Antagonists BDKRB1, BDKRB2, CALCRL CALCRL 3/4885RAB9A 1319/4885NPC1 609/4885

“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.