SCHEMBL2080972

SCHEMBL2080972

O=C1OCc2c1ccc(-c1ccccc1)c2-c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.50
TGFBR1 P36897 1/20 0.43
CYP2A6 P11509 1/20 0.42
TP53 P04637 2/20 0.38
PKM P14618 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
CCR8 P51685 1/20 0.37
METAP1 P53582 1/20 0.37
BLM P54132 1/20 0.37
HIF1A Q16665 1/20 0.37
DOHH Q9BU89 1/20 0.37
P4HTM Q9NXG6 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
SCHEMBL28954742 0.73 KDM4E (0.52) TGFBR1CYP2A6TP53PKMRAB9A
SCHEMBL27987728 0.72 ALOX5 (0.50) ALOX5KDM4ECYP1A2POLBKCNJ1
SCHEMBL4963310 0.72 ALOX5 (0.45) ALOX5CYP1A2KCNJ1THRBKMT2A
SCHEMBL27992763 0.70 KDM4E (0.52) TGFBR1CYP2A6TP53PKMRAB9A
SCHEMBL17264241 0.69 ALOX5 (0.44) ALOX5SMN1; SMN2KDM4EKMT2AALDH1A1
SCHEMBL12553313 0.69 ALOX5 (0.48) ALOX5KCNJ1KMT2A
SCHEMBL12914230 0.67 KDM4E (0.45) TGFBR1CYP2A6TP53PKMRAB9A
SCHEMBL20574888 0.67 KCNJ1 (0.49) ALOX5KCNJ1GABRA1GABRG2GABRB3
SCHEMBL5362308 0.67 KDM4E (0.52) TGFBR1CYP2A6TP53PKMRAB9A
SCHEMBL923478 0.66 TGFBR1 (0.47) TGFBR1CYP2A6TP53PKMRAB9A

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
US-7897601-B2 Cannabinoid receptor modulators INTERVET, INC. (US) 2011-03-01 US disclosed
EP-1973877-A2 CANNIBINOID RECEPTOR MODULATORS SCHERING CORPORATION (US) 2008-10-01 EP disclosed
US-20070197628-A1 Cannabinoid receptor modulators INTERVET INTERNATIONAL B.V. (NL) 2007-08-23 US disclosed
WO-2007084450-A2 CANNIBINOID RECEPTOR MODULATORS SCHERING CORPORATION (US) 2007-07-26 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-20070197628-A1 Cannabinoid receptor modulators CNR1, CNR2, GPR18 ALOX5 1069/4885TGFBR1 1102/4885CYP2A6 395/4885

“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.