SCHEMBL602544

SCHEMBL602544

CCCCCn1c2c(c3ccc(OC)cc31)CNCC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 5/20 0.55
SIRT1 Q96EB6 3/20 0.55
CYP3A4 P08684 1/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
MCHR1 Q99705 2/20 0.46
CNR2 P34972 3/20 0.45
CNR1 P21554 1/20 0.45
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
HTR7 P34969 1/20 0.44
NISCH Q9Y2I1 1/20 0.44
PDE5A O76074 1/20 0.44
DYRK1A Q13627 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL602468 0.87 HSD17B10 (0.53) SIRT2CYP3A4MCHR1PTGS1PTGS2
SCHEMBL176660 0.80 SIRT2 (0.66) SIRT2SIRT1MAOAMAOBADRA2A
SCHEMBL15550724 0.76 SIRT2 (0.67) SIRT2SIRT1CYP3A4MAOAMAOB
SCHEMBL15549479 0.76 SIRT2 (0.68) SIRT2SIRT1CYP3A4
SCHEMBL6859526 0.76 DYRK1A (0.60) MAOAMAOBCNR2CNR1DYRK1A
SCHEMBL601773 0.74 AKR1B10 (0.64) SIRT2SIRT1MAOAMAOBCNR2
SCHEMBL27348863 0.74 HTR6 (0.46) SIRT2SIRT1MCHR1PTGS1PTGS2
Ammonia Solution, Strong SCHEMBL905854 0.73 KDM4E (0.57) MAOAMAOBPDE5ADYRK1AKDM4E
SCHEMBL13142351 0.73 HTR6 (0.69) SIRT2SIRT1CYP3A4MAOAMAOB
SCHEMBL21153990 0.73 PTGS1 (0.60) CYP3A4MAOAMAOBMCHR1PTGS1

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 SIRT2 2975/4885SIRT1 2338/4885CYP3A4 2835/4885
US-20170096426-A1 Novel Tricyclic Modulators of Cannabinoid Receptors CNR1, CNR2, OPRL1 SIRT2 2975/4885SIRT1 2338/4885CYP3A4 2835/4885

“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.