SCHEMBL601140

SCHEMBL601140

CCn1c2c(c3ccc(OC)cc31)CN(C(=O)c1ccc(C)c3ccccc13)CC2

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.53
AKR1B10 O60218 1/20 0.49
AKR1B1 P15121 1/20 0.49
PTGDR Q13258 5/20 0.47
PTGER2 P43116 4/20 0.47
CYP2C9 P11712 3/20 0.47
PDE5A O76074 2/20 0.47
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HTR5A P47898 1/20 0.42
DRD4 P21917 1/20 0.42

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
SCHEMBL15126357 0.87 PTGDR2 (0.60) PTGDR2PTGDRPTGER2CYP2C9HTR5A
SCHEMBL600037 0.82 AKR1B10 (0.70) PTGDR2AKR1B10AKR1B1PDE5AKDM4E
SCHEMBL600939 0.78 PTGDR2 (0.65) PTGDR2AKR1B10AKR1B1PTGDRPTGER2
SCHEMBL3094301 0.77 PTGDR2 (0.76) PTGDR2PTGDRPTGER2CYP2C9KDM4E
SCHEMBL3081745 0.76 PTGDR2 (0.70) PTGDR2AKR1B10AKR1B1PTGDRPTGER2
SCHEMBL15126360 0.75 AKR1B10 (0.52) PTGDR2AKR1B10AKR1B1PTGDRPTGER2
SCHEMBL601773 0.74 AKR1B10 (0.64) PTGDR2AKR1B10AKR1B1PDE5A
SCHEMBL3085042 0.72 PTGDR2 (0.70) PTGDR2PTGDRPTGER2CYP2C9
SCHEMBL23148492 0.72 PTGDR2 (0.59) PTGDR2AKR1B10AKR1B1PTGDRPTGER2
SCHEMBL23148497 0.72 MAPT (0.48) CYP2C9KDM4EALDH1A1MAPK1HTT

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 9 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
WO-2013106460-A2 COMPOSITIONS AND METHODS FOR TREATING MALIGNANT ASTROCYTOMAS UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2013-07-18 WO 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 PTGDR2 110/4885AKR1B10 1854/4885AKR1B1 2366/4885
US-20170096426-A1 Novel Tricyclic Modulators of Cannabinoid Receptors CNR1, CNR2, OPRL1 PTGDR2 110/4885AKR1B10 1854/4885AKR1B1 2366/4885

“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.