SCHEMBL602385

SCHEMBL602385

COc1ccc2c3cc(C)ccc3n(CC3CCCCC3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.54
CNR2 P34972 5/20 0.51
CNR1 P21554 4/20 0.48
DYRK1A Q13627 3/20 0.43
PTGER4 P35408 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
P2RX3 P56373 2/20 0.39
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
HRH1 P35367 1/20 0.38
HTR6 P50406 1/20 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
SCHEMBL602524 0.83 CNR2 (0.56) PLA2G2ACNR2CNR1PTGER4NPC1
SCHEMBL600940 0.82 PLA2G2A (0.57) PLA2G2ACNR2CNR1PTGER4NPC1
SCHEMBL600236 0.80 CNR2 (0.69) PLA2G2ACNR2CNR1
SCHEMBL13471701 0.74 PTGER4 (0.50) CNR2PTGER4NPC1
SCHEMBL5808472 0.74 PLA2G2A (0.73) PLA2G2ACNR2CNR1
SCHEMBL27901716 0.73 KMT2A (0.55) PLA2G2A
SCHEMBL601723 0.73 CNR2 (0.52) PLA2G2ACNR2CNR1NPC1RAB9A
SCHEMBL7952544 0.71 PLA2G2A (0.82) PLA2G2ARAB9A
SCHEMBL12355265 0.71 MAPT (0.63) DYRK1ARAB9A
SCHEMBL7952825 0.71 PLA2G2A (1.00) PLA2G2A

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 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.