SCHEMBL7544320

SCHEMBL7544320

CC(C)CCC(=O)c1ccccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.47
HSD17B10 Q99714 6/20 0.47
CFTR P13569 1/20 0.47
KDM4E B2RXH2 6/20 0.46
HTT P42858 1/20 0.45
TRPA1 O75762 1/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 3/20 0.42
FADS1 O60427 1/20 0.41
HPGD P15428 4/20 0.41
P2RX7 Q99572 1/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL1260279 0.83 ALDH1A1 (0.49) ALDH1A1HSD17B10CFTRKDM4EGAA
SCHEMBL15657218 0.81 CTNNB1 (0.53) ALDH1A1HTTTRPA1TSHRHPGD
SCHEMBL4230481 0.81 ALDH1A1 (0.55) ALDH1A1HSD17B10CFTRKDM4EGAA
SCHEMBL176812 0.81 KMT2A (0.48) KDM4EGAAMAPTPOLBHIF1A
Kynuramine SCHEMBL2801613 0.80 MAPT (0.50) ALDH1A1HSD17B10CFTRKDM4EGAA
Kynuramine SCHEMBL30555814 0.80 MAPT (0.50) ALDH1A1HSD17B10CFTRKDM4EGAA
SCHEMBL5951369 0.80 ALDH1A1 (0.44) ALDH1A1HSD17B10KDM4EHTTTRPA1
SCHEMBL15656584 0.80 TRPA1 (0.44) ALDH1A1HSD17B10KDM4EHTTTRPA1
SCHEMBL10062942 0.79 TRPA1 (0.42) ALDH1A1HSD17B10KDM4EHTTTRPA1
SCHEMBL20340906 0.78 ALDH1A1 (0.47) ALDH1A1HSD17B10CFTRKDM4EGAA

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
US-20020183313-A1 1,4-benzodiazepinones and their uses as CCK antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-05 US disclosed
US-20020002163-A1 1,4-benzodiazepinones and their uses as CCK antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 US disclosed
US-6291452-B1 CHOLECYSTOKININ ANTAGONISTS. FUJISAWA PHARMACETICAL CO., LTD. (JP) 2001-09-18 US disclosed
EP-0934282-A1 1,4-BENZODIAZEPINONES AND THEIR USES AS CCK ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-08-11 EP disclosed
WO-1998015535-A1 1,4-BENZODIAZEPINONES AND THEIR USES AS CCK ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-04-16 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 (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-20020002163-A1 1,4-benzodiazepinones and their uses as CCK antagonists CCKAR, CCKBR, GABRA4 ALDH1A1 1169/4885HSD17B10 1450/4885CFTR 1791/4885
US-20020183313-A1 1,4-benzodiazepinones and their uses as CCK antagonists CCKAR, CCKBR, GABRA4 ALDH1A1 1169/4885HSD17B10 1450/4885CFTR 1791/4885

“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.