SCHEMBL602468

SCHEMBL602468

CCn1c2c(c3ccc(OC)cc31)CNCC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
MCHR1 Q99705 4/20 0.47
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
HTR7 P34969 1/20 0.46
NISCH Q9Y2I1 1/20 0.46
PDE5A O76074 1/20 0.43
DYRK1A Q13627 1/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 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
SCHEMBL602544 0.87 SIRT2 (0.55) HSD17B10KDM4EALDH1A1MAPK1HTT
SCHEMBL27348863 0.79 HTR6 (0.46) PTGS1PTGS2MCHR1SIRT2MAPT
SCHEMBL2357949 0.78 HDAC1 (0.55) HSD17B10KDM4EALDH1A1MAPK1HTR2A
SCHEMBL30873508 0.78 HDAC1 (0.55) HSD17B10KDM4EALDH1A1MAPK1HTR2A
SCHEMBL21153990 0.75 PTGS1 (0.60) HSD17B10KDM4EALDH1A1MAPK1HTT
SCHEMBL16140204 0.75 SIRT2 (0.60) HSD17B10ADRA2AHTR7HTR2AHTR2C
SCHEMBL29293071 0.74 PTGS1 (0.58) HSD17B10PTGS1PTGS2MCHR1ADRA2A
SCHEMBL21114776 0.73 HTR6 (0.62) PTGS1PTGS2MCHR1
SCHEMBL30506412 0.73 HTR6 (0.62) PTGS1PTGS2MCHR1
SCHEMBL13142351 0.73 HTR6 (0.69) PTGS1PTGS2ADRA2AHTR7HTR2A

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 HSD17B10 2895/4885KDM4E 2223/4885ALDH1A1 4037/4885
US-20170096426-A1 Novel Tricyclic Modulators of Cannabinoid Receptors CNR1, CNR2, OPRL1 HSD17B10 2895/4885KDM4E 2223/4885ALDH1A1 4037/4885

“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.