SCHEMBL2297608

SCHEMBL2297608

O=C(OCC1c2ccccc2-c2ccccc21)N1CCC(c2csc(-c3ccccc3)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CPT1A P50416 3/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
SCN9A Q15858 1/20 0.40
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 3/20 0.39
TP53 P04637 2/20 0.39
MDM4 O15151 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
LMNA P02545 1/20 0.39
CPT2 P23786 1/20 0.39
CASP3 P42574 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
SCHEMBL3593203 0.94 CPT1A (0.44) CCR5ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3587524 0.92 MDM2 (0.39) CCR5ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3587433 0.92 TRPC3 (0.44) SCN9ALMNAENPP2
SCHEMBL3590006 0.91 ENPP2 (0.43) ALDH1A1KDM4EHPGDCPT1ARAB9A
SCHEMBL3580394 0.90 TRPC3 (0.44) KDM4ECPT1ASMN1; SMN2TP53LMNA
SCHEMBL3587938 0.90 GRIN2B (0.40) CCR5ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3583534 0.90 ALDH1A1 (0.40) CCR5ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3588590 0.90 L3MBTL1 (0.43) ALDH1A1KDM4EHPGDHSD17B10CPT1A
SCHEMBL3591327 0.90 ENPP2 (0.41) CCR5ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3586297 0.88 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10CPT1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334269-B2 Carboxamides as inhibitors of voltage-gated sodium channels AMGEN INC. (US) 2016-05-10 US disclosed
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2013-05-23 US disclosed
EP-2536689-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN Amgen Inc. (US) 2012-12-26 EP disclosed
WO-2011103196-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN AMGEN INC. (US) 2011-08-25 WO disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 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-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS CACNA1B, SCN1A, CACNA1I CCR5 3137/4885ALDH1A1 3255/4885KDM4E 816/4885
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 CCR5 4/4885ALDH1A1 971/4885KDM4E 3447/4885

“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.