SCHEMBL12377500

SCHEMBL12377500

CCCC(=O)Nc1ccc2c(c1)CC(C)(C(N)=O)C2

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
KDM4E B2RXH2 4/20 0.50
MAPT P10636 3/20 0.50
ALDH1A1 P00352 5/20 0.48
HPGD P15428 3/20 0.48
TP53 P04637 2/20 0.48
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
PTPRC P08575 2/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
NAMPT P43490 1/20 0.41

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
SCHEMBL12377505 0.89 RAB9A (0.58) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL12362398 0.86 TERT (0.46) RAB9ANPC1MAPTHPGDLMNA
SCHEMBL260996 0.82 CYP1A2 (0.49) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL12377506 0.82 RAB9A (0.41) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL12377509 0.80 ALDH1A1 (0.41) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL12362399 0.77 TERT (0.42) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL3977553 0.75 RAB9A (0.71) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL12377512 0.74 CALCRL (0.54) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL3984737 0.73 RAB9A (0.73) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL11693512 0.70 ALDH1A1 (0.65) RAB9ANPC1KDM4EMAPTALDH1A1

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 RAB9A 1319/4885NPC1 609/4885KDM4E 3556/4885

“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.