SCHEMBL600939

SCHEMBL600939

CCCCCn1c2c(c3ccc(OC)cc31)CN(C(=O)c1ccccc1)CC2

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.65
CNR2 P34972 4/20 0.55
CNR1 P21554 2/20 0.55
CYP2C9 P11712 2/20 0.53
DRD4 P21917 1/20 0.52
AKR1B10 O60218 1/20 0.49
AKR1B1 P15121 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
PDE5A O76074 1/20 0.48
PTGER2 P43116 1/20 0.48
PTGDR Q13258 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.47

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
SCHEMBL10122027 0.88 PTGDR2 (0.75) PTGDR2CYP2C9PTGER2PTGDRSIRT2
SCHEMBL601773 0.86 AKR1B10 (0.64) PTGDR2CNR2CNR1AKR1B10AKR1B1
SCHEMBL3073539 0.79 PTGDR2 (1.00) PTGDR2CYP2C9AKR1B10AKR1B1PTGER2
SCHEMBL601140 0.78 PTGDR2 (0.53) PTGDR2CYP2C9DRD4AKR1B10AKR1B1
SCHEMBL3087327 0.76 PTGDR2 (0.80) PTGDR2CYP2C9AKR1B10AKR1B1PTGER2
SCHEMBL600037 0.74 AKR1B10 (0.70) PTGDR2AKR1B10AKR1B1MAOAMAOB
SCHEMBL3094109 0.73 PTGDR2 (1.00) PTGDR2CYP2C9PTGER2PTGDR
SCHEMBL3090842 0.73 PTGDR2 (0.75) PTGDR2CYP2C9AKR1B10AKR1B1PTGER2
SCHEMBL602544 0.72 SIRT2 (0.55) CNR2CNR1MAOAMAOBPDE5A
SCHEMBL3077017 0.71 PTGDR2 (0.84) PTGDR2CYP2C9PTGER2PTGDR

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 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-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 PTGDR2 110/4885CNR2 2/4885CNR1 1/4885
US-20170096426-A1 Novel Tricyclic Modulators of Cannabinoid Receptors CNR1, CNR2, OPRL1 PTGDR2 110/4885CNR2 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.