SCHEMBL21245238

SCHEMBL21245238

CC(NC(=O)O)c1nc(-c2ccccc2)c[nH]1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 7/20 0.43
ADORA2A P29274 4/20 0.43
ADORA3 P0DMS8 4/20 0.43
ADORA2B P29275 1/20 0.43
TACR3 P29371 1/20 0.40
ALDH1A1 P00352 2/20 0.39
PHGDH O43175 2/20 0.39
PDE2A O00408 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CGAS Q8N884 1/20 0.37
XIAP P98170 1/20 0.36
MAPT P10636 1/20 0.36
ACR P10323 1/20 0.36

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
SCHEMBL21245237 1.00 ADORA1 (0.43) ADORA1ADORA2AADORA3ADORA2BTACR3
SCHEMBL2105173 0.87 ACACB (0.34) ADORA1ADORA2AADORA3ADORA2BTACR3
SCHEMBL19824617 0.83 ADORA1 (0.38) ADORA1ADORA2AADORA3ADORA2BTACR3
SCHEMBL18055587 0.83 SSTR3 (0.43) ADORA1ADORA2AADORA3ADORA2BMAPT
SCHEMBL19812528 0.83 SSTR3 (0.43) ADORA1ADORA2AADORA3ADORA2BMAPT
SCHEMBL4242275 0.82 CNR2 (0.43) ADORA1ADORA2AADORA3ADORA2BALDH1A1
SCHEMBL4242271 0.82 CNR2 (0.43) ADORA1ADORA2AADORA3ADORA2BALDH1A1
SCHEMBL1928985 0.82 CNR1 (0.40) ADORA1ADORA2AADORA3ADORA2BTACR3
SCHEMBL19829076 0.81 TDP1 (0.40) ADORA1ADORA2AADORA3ADORA2BALDH1A1
SCHEMBL2341611 0.81 TACR3 (0.44) ADORA1ADORA2AADORA3ADORA2BTACR3

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-10479769-B2 Processes for the preparation of eluxadoline SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2019-11-19 US disclosed
US-20190248748-A1 PROCESSES FOR THE PREPARATION OF ELUXADOLINE SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2019-08-15 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 (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-20190248748-A1 PROCESSES FOR THE PREPARATION OF ELUXADOLINE CYP3A5, AVPR2, CYP3A4 ADORA1 547/4885ADORA2A 644/4885ADORA3 214/4885
US-10479769-B2 Processes for the preparation of eluxadoline CYP3A5, AVPR2, CYP3A4 ADORA1 547/4885ADORA2A 644/4885ADORA3 214/4885

“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.