SCHEMBL6071069

SCHEMBL6071069

CCCCCc1cc(C(N)=O)cn1CCCCC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.50
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
CNR1 P21554 1/20 0.40
NPC1 O15118 1/20 0.40
ICMT O60725 7/20 0.39
MEN1 O00255 1/20 0.38
APAF1 O14727 1/20 0.38
RGS12 O14924 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
CNR2 P34972 2/20 0.37
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL9150335 0.85 RARB (0.44) GPR84MEN1KMT2ACNR2
SCHEMBL7211324 0.75 ALDH1A1 (0.51) GPR84CNR2
SCHEMBL2141794 0.74 GPR84 (0.39) TLR8GPR84ICMTKMT2ACNR2
SCHEMBL24159217 0.71 ALDH1A1 (0.36) TLR8OPRM1CNR1ICMTKMT2A
SCHEMBL27723852 0.70 BRD4 (0.37) TLR8MAPK1KMT2A
SCHEMBL27774707 0.69 TLR8 (0.52) TLR8CNR1NPC1ICMTMEN1
SCHEMBL3225639 0.69 TLR8 (0.46) TLR8CNR1ICMTMEN1KMT2A
SCHEMBL3219891 0.69 CNR1 (0.48) GPR84CNR1CNR2
SCHEMBL9019256 0.67 RARB (0.45) GPR84MEN1KMT2A
SCHEMBL251002 0.67 CNR2 (0.44) TLR8GPR84CNR1ICMTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3986856-A1 COMPOSITIONS AND METHODS FOR TREATING CANNABINOID HYPEREMESIS SYNDROME WITH A CANNABINOID RECEPTOR ANTAGONIST Opiant Pharmaceuticals, Inc. (US) 2022-04-27 EP disclosed
EP-3890724-A1 COMPOSITIONS AND METHODS FOR TREATING ACUTE CANNABINOID OVERDOSE WITH A CANNABINOID RECEPTOR ANTAGONIST Opiant Pharmaceuticals, Inc. (US) 2021-10-13 EP disclosed
WO-2020257336-A1 COMPOSITIONS AND METHODS FOR TREATING CANNABINOID HYPEREMESIS SYNDROME WITH A CANNABINOID RECEPTOR ANTAGONIST OPIANT PHARMACEUTICALS, INC. (US) 2020-12-24 WO disclosed
WO-2020118048-A1 COMPOSITIONS AND METHODS FOR TREATING ACUTE CANNABINOID OVERDOSE WITH A CANNABINOID RECEPTOR ANTAGONIST OPIANT PHARMACEUTICALS, INC. (US) 2020-06-11 WO disclosed
EP-3634479-A1 METHOD TO IDENTIFY COMPOUNDS USEFUL TO TREAT DYSREGULATED LIPOGENESIS, DIABETES, AND RELATED DISORDERS President and Fellows of Harvard College (US) 2020-04-15 EP disclosed
EP-3475299-A1 COMPOUNDS USEFUL TO TREAT METABOLIC DISORDERS President and Fellows of Harvard College (US) 2019-05-01 EP disclosed
WO-2018227200-A1 METHOD TO IDENTIFY COMPOUNDS USEFUL TO TREAT DYSREGULATED LIPOGENESIS, DIABETES, AND RELATED DISORDERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-12-13 WO disclosed
WO-2018005551-A1 COMPOUNDS USEFUL TO TREAT METABOLIC DISORDERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-01-04 WO disclosed
WO-2013025984-A2 CANNABINOID RECEPTOR TREATMENTS TEMPLE UNIVERSITY (US) 2013-02-21 WO disclosed
US-20060122230-A1 1,5-Diaryl-pyrrole-3-carboxamide derivatives and their use as cannabinoid receptor modulators ASTRAZENECA AB (SE) 2006-06-08 US disclosed
US-20060122230-A1 1,5-Diaryl-pyrrole-3-carboxamide derivatives and their use as cannabinoid receptor modulators ASTRAZENECA AB (SE) 2006-06-08 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-20060122230-A1 1,5-Diaryl-pyrrole-3-carboxamide derivatives and their use as cannabinoid receptor modulators CNR1, CNR2, GPR18 TLR8 957/4885OPRM1 32/4885OPRD1 42/4885

“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.