SCHEMBL600037

SCHEMBL600037

CCOC(=O)N1CCc2c(c3ccc(OC)cc3n2CC)C1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 1/20 0.70
AKR1B1 P15121 1/20 0.70
PTGDR2 Q9Y5Y4 3/20 0.50
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PDE5A O76074 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
PABPC1 P11940 1/20 0.44
ATM Q13315 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
DYRK1A Q13627 1/20 0.41
PKM P14618 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL601773 0.89 AKR1B10 (0.64) AKR1B10AKR1B1PTGDR2PDE5AMAOA
SCHEMBL23148492 0.83 PTGDR2 (0.59) AKR1B10AKR1B1PTGDR2HDAC1HDAC6
SCHEMBL601140 0.82 PTGDR2 (0.53) AKR1B10AKR1B1PTGDR2ALDH1A1KDM4E
SCHEMBL29034617 0.79 AKR1B10 (0.70) AKR1B10AKR1B1PTGDR2ALDH1A1KDM4E
SCHEMBL18711104 0.78 KDM4E (0.47) AKR1B10AKR1B1PTGDR2ALDH1A1KDM4E
SCHEMBL541347 0.78 AKR1B10 (0.61) AKR1B10AKR1B1PTGDR2ALDH1A1KDM4E
SCHEMBL602333 0.75 LMNA (0.67) AKR1B10AKR1B1ALDH1A1KDM4EMAPK1
SCHEMBL16140214 0.74 NR1H2 (0.55) AKR1B10AKR1B1PTGDR2KDM4EHDAC1
SCHEMBL3477166 0.74 KRAS (0.55) AKR1B10AKR1B1PTGDR2HDAC1HDAC6
SCHEMBL600939 0.74 PTGDR2 (0.65) AKR1B10AKR1B1PTGDR2PDE5AMAOA

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 7 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
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 AKR1B10 1854/4885AKR1B1 2366/4885PTGDR2 110/4885
US-20170096426-A1 Novel Tricyclic Modulators of Cannabinoid Receptors CNR1, CNR2, OPRL1 AKR1B10 1854/4885AKR1B1 2366/4885PTGDR2 110/4885

“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.