SCHEMBL601723

SCHEMBL601723

COc1ccc2c3cc(C(=O)NCCc4ccc(Cl)cc4)ccc3n(CC3CCCCC3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.52
RORC P51449 3/20 0.51
PTGS2 P35354 1/20 0.51
MAPT P10636 3/20 0.49
RAB9A P51151 1/20 0.48
PLA2G2A P14555 1/20 0.47
TP53 P04637 2/20 0.46
POLB P06746 2/20 0.46
NPC1 O15118 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CNR1 P21554 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL600298 0.82 CNR2 (0.77) CNR2PTGS2MAPTTP53MEN1
SCHEMBL600940 0.81 PLA2G2A (0.57) CNR2RORCMAPTPLA2G2ANPC1
SCHEMBL602524 0.80 CNR2 (0.56) CNR2RORCPLA2G2ANPC1CNR1
SCHEMBL600236 0.77 CNR2 (0.69) CNR2PLA2G2ACNR1
SCHEMBL602385 0.73 PLA2G2A (0.54) CNR2RAB9APLA2G2ANPC1CNR1
SCHEMBL16562294 0.72 KMT2A (0.70) MAPTRAB9APOLBNPC1MEN1
SCHEMBL7629275 0.70 RORC (0.53) CNR2RORCMAPTTP53NPC1
SCHEMBL3868213 0.69 MCHR1 (0.70) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL600414 0.69 CNR2 (1.00) CNR2RORCMAPTTP53CNR1
SCHEMBL29189093 0.68 PTGS2 (1.00) PTGS2MAPTPLA2G2ATP53MEN1

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
US-20170096426-A1 Novel Tricyclic Modulators of Cannabinoid Receptors THE UNIV OF MONTANA (US) 2017-04-06 US disclosed
US-20170096426-A1 Novel Tricyclic Modulators of Cannabinoid Receptors THE UNIV OF MONTANA (US) 2017-04-06 US disclosed
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
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
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 CNR2 2/4885RORC 824/4885PTGS2 947/4885
US-20170096426-A1 Novel Tricyclic Modulators of Cannabinoid Receptors CNR1, CNR2, OPRL1 CNR2 2/4885RORC 824/4885PTGS2 947/4885

“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.