SCHEMBL600940

SCHEMBL600940

COC(=O)c1ccc2c(c1)c1ccc(OC)cc1n2CC1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.57
CNR2 P34972 7/20 0.53
CNR1 P21554 3/20 0.53
RORC P51449 2/20 0.48
NPC1 O15118 1/20 0.47
PTGER4 P35408 2/20 0.47
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
SCARB1 Q8WTV0 1/20 0.43
MAPT P10636 1/20 0.42
MAPK8 P45983 1/20 0.41

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
SCHEMBL602524 0.90 CNR2 (0.56) PLA2G2ACNR2CNR1RORCNPC1
SCHEMBL600236 0.87 CNR2 (0.69) PLA2G2ACNR2CNR1
SCHEMBL602385 0.82 PLA2G2A (0.54) PLA2G2ACNR2CNR1NPC1PTGER4
SCHEMBL601723 0.81 CNR2 (0.52) PLA2G2ACNR2CNR1RORCNPC1
SCHEMBL599985 0.77 CNR2 (0.71) PLA2G2ACNR2CNR1SCARB1
SCHEMBL600292 0.75 CNR2 (0.55) CNR2CNR1SCARB1MAPT
SCHEMBL27605926 0.75 PARG (0.52) PLA2G2ACNR2NPC1MAPK8
SCHEMBL7952544 0.73 PLA2G2A (0.82) PLA2G2AMAPT
SCHEMBL28563850 0.73 ALDH1A1 (0.59) PLA2G2ACNR2CNR1PTGER4HDAC1
SCHEMBL18901204 0.73 ROCK2 (0.61) CNR2CNR1PTGER4HDAC1HDAC6

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-20170096426-A1 Novel Tricyclic Modulators of Cannabinoid Receptors THE UNIV OF MONTANA (US) 2017-04-06 US claimed
US-20120039804-A1 Novel Tricyclic Modulators of Cannabinoid Receptors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-02-16 US claimed
US-20170096426-A1 Novel Tricyclic Modulators of Cannabinoid Receptors THE UNIV OF MONTANA (US) 2017-04-06 US disclosed
US-20120039804-A1 Novel Tricyclic Modulators of Cannabinoid Receptors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-02-16 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-20120039804-A1 Novel Tricyclic Modulators of Cannabinoid Receptors CNR1, CNR2, OPRL1 PLA2G2A 1077/4885CNR2 2/4885CNR1 1/4885
US-20170096426-A1 Novel Tricyclic Modulators of Cannabinoid Receptors CNR1, CNR2, OPRL1 PLA2G2A 1077/4885CNR2 2/4885CNR1 1/4885

“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.