SCHEMBL600414

SCHEMBL600414

CCCCCn1c2ccccc2c2cc(C(=O)NCCc3ccc(Cl)cc3)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 1.00
NPY5R Q15761 1/20 0.62
MAPT P10636 2/20 0.58
TP53 P04637 2/20 0.55
RORC P51449 1/20 0.55
CNR1 P21554 1/20 0.53
THRB P10828 1/20 0.53

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 0.87 CNR2 (0.77) CNR2NPY5RMAPTTP53CNR1
SCHEMBL4726208 0.80 CNR2 (0.67) CNR2NPY5RRORCCNR1
SCHEMBL4727519 0.80 NPY5R (0.83) CNR2NPY5RMAPTTP53RORC
SCHEMBL16120098 0.77 ALDH1A1 (0.67) CNR2NPY5RRORCCNR1
SCHEMBL7976855 0.76 NPY5R (1.00) CNR2NPY5RMAPTRORC
SCHEMBL600012 0.76 ALDH1A1 (0.82) CNR2CNR1
SCHEMBL28050802 0.76 CNR2 (0.77) CNR2CNR1
SCHEMBL19248415 0.75 CNR2 (0.67) CNR2RORCCNR1
SCHEMBL23042125 0.75 CNR2 (0.71) CNR2CNR1
SCHEMBL4726986 0.75 NPY5R (0.71) CNR2NPY5RMAPTRORC

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 8 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-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 2/4885NPY5R 217/4885MAPT 924/4885
US-20170096426-A1 Novel Tricyclic Modulators of Cannabinoid Receptors CNR1, CNR2, OPRL1 CNR2 2/4885NPY5R 217/4885MAPT 924/4885

“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.