SCHEMBL2818152

SCHEMBL2818152

O=C(O)N1CCNc2ccccc2C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.63
HPGD P15428 1/20 0.55
AHR P35869 2/20 0.51
DPP4 P27487 1/20 0.46
NOTUM Q6P988 2/20 0.42
SIGMAR1 Q99720 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RYR2 Q92736 1/20 0.39
AVPR1A P37288 1/20 0.38
HSD17B3 P37058 1/20 0.38

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
SCHEMBL379244 0.85 MAPK1 (0.66) MAPK1HPGDAHRDPP4NOTUM
SCHEMBL30252940 0.85 MAPK1 (0.62) MAPK1HPGDAHRDPP4NOTUM
SCHEMBL27993916 0.83 MAPK1 (0.48) MAPK1HPGDAHRNOTUMMAPT
SCHEMBL19644152 0.81 MAPK1 (0.61) MAPK1HPGDAHRDPP4NOTUM
SCHEMBL19652058 0.81 MAPK1 (0.69) MAPK1HPGDAHRDPP4NOTUM
SCHEMBL6618480 0.80 MAPK1 (0.56) MAPK1HPGDAHRDPP4NOTUM
SCHEMBL3149403 0.79 MAPK1 (0.62) MAPK1HPGDAHRSIGMAR1L3MBTL1
SCHEMBL11882123 0.79 TMPRSS2 (0.58) MAPK1HPGDAHRDPP4NOTUM
SCHEMBL11966963 0.79 MAPK1 (0.58) MAPK1HPGDAHRDPP4NOTUM
SCHEMBL537566 0.78 MAPK1 (1.00) MAPK1HPGDAHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781661-B1 VASOPRESSIN V1A ANTAGONISTS VANTIA LTD (GB) 2017-06-07 EP disclosed
US-8343961-B2 Substituted heterocyclic compounds ARQULE, INC. (US) 2013-01-01 US disclosed
EP-2264037-A1 Vasopressin v1a antagonists Vantia Limited (GB) 2010-12-22 EP disclosed
US-20100249115-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS ARQULE, INC. (US) 2010-09-30 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-20100249115-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS CYP11B2, GABBR1, CNR1 MAPK1 2135/4885HPGD 223/4885AHR 188/4885

“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.