SCHEMBL2541972

SCHEMBL2541972

O=C(CNc1ccccc1)OC1CCc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.45
HTR2C P28335 1/20 0.43
OPRM1 P35372 1/20 0.43
DRD3 P35462 1/20 0.43
AVPR1A P37288 1/20 0.43
OPRK1 P41145 1/20 0.43
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
FFAR1 O14842 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MTNR1A P48039 2/20 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
SCHEMBL31072335 0.83 IDO1 (0.50) IDO1HTR2COPRM1DRD3AVPR1A
SCHEMBL29590253 0.79 IDO1 (0.59) IDO1HTR2COPRM1DRD3AVPR1A
SCHEMBL11142136 0.79 IDO1 (0.59) IDO1HTR2COPRM1DRD3AVPR1A
SCHEMBL1455049 0.79 IDO1 (0.56) IDO1HTR2COPRM1DRD3AVPR1A
SCHEMBL31564976 0.79 IDO1 (0.51) IDO1HTR2COPRM1DRD3AVPR1A
SCHEMBL11764887 0.79 IDO1 (0.51) IDO1HTR2COPRM1DRD3AVPR1A
Butane SCHEMBL11338224 0.78 CTSV (0.49) IDO1HTR2COPRM1DRD3AVPR1A
SCHEMBL8308445 0.78 IDO1 (0.58) IDO1HTR2COPRM1DRD3AVPR1A
SCHEMBL9471985 0.76 GAA (0.50) MEN1KMT2ASMN1; SMN2RAB9AKDM4E
SCHEMBL27332720 0.76 ALDH1A1 (0.51) IDO1CTSVCTSLCTSSCTSK

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
EP-2013175-B9 p38 MAP KINASE INHIBITORS MACROPHAGE PHARMA LTD (GB) 2020-11-11 EP disclosed
EP-2013175-B1 p38 MAP KINASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2016-11-09 EP disclosed
US-8044211-B2 P38 MAP kinase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-10-25 US disclosed
US-20090099185-A1 P38 Map Kinase Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-04-16 US disclosed
EP-2013175-A1 p38 MAP KINASE INHIBITORS Chroma Therapeutics Limited (GB) 2009-01-14 EP disclosed
WO-2007129040-A1 p38 MAP KINASE INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2007-11-15 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 (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-20090099185-A1 P38 Map Kinase Inhibitors MAPK1, CNKSR1, MAPK3 IDO1 419/4885HTR2C 1783/4885OPRM1 510/4885

“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.