SCHEMBL600437

SCHEMBL600437

CCCCCn1c2ccccc2c2cc(C(=O)OCC)ncc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 1.00
PSEN1 P49768 5/20 0.57
PSEN2 P49810 5/20 0.57
APH1B Q8WW43 5/20 0.57
NCSTN Q92542 5/20 0.57
APH1A Q96BI3 5/20 0.57
PSENEN Q9NZ42 5/20 0.57
ALDH1A1 P00352 3/20 0.55
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
GABRP O00591 3/20 0.51
GABRD O14764 3/20 0.51
GABRA1 P14867 3/20 0.51
GABRB1 P18505 3/20 0.51
GABRG2 P18507 3/20 0.51
GABRB3 P28472 3/20 0.51
GABRA5 P31644 3/20 0.51
GABRA3 P34903 3/20 0.51
GABRA2 P47869 3/20 0.51
GABRB2 P47870 3/20 0.51

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
SCHEMBL28868382 0.99 CNR2 (0.98) CNR2PSEN1PSEN2APH1BNCSTN
SCHEMBL2212394 0.97 CNR2 (0.94) CNR2PSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL27891826 0.96 CNR2 (0.92) CNR2PSEN1PSEN2APH1BNCSTN
SCHEMBL16120076 0.92 CNR2 (0.85) CNR2PSEN1PSEN2APH1BNCSTN
SCHEMBL10994093 0.91 CNR2 (0.84) CNR2PSEN1PSEN2APH1BNCSTN
SCHEMBL16099574 0.91 CNR2 (0.84) CNR2PSEN1PSEN2APH1BNCSTN
SCHEMBL2216831 0.89 CNR2 (0.80) CNR2PSEN1PSEN2APH1BNCSTN
SCHEMBL2215960 0.88 CNR2 (0.79) CNR2PSEN1PSEN2APH1BNCSTN
SCHEMBL2214063 0.87 CNR2 (0.77) CNR2ALDH1A1L3MBTL1GABRPGABRD
SCHEMBL2215561 0.86 CNR2 (0.76) CNR2PSEN1PSEN2APH1BNCSTN

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 8 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
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 CNR2 2/4885PSEN1 764/4885PSEN2 976/4885
US-20170096426-A1 Novel Tricyclic Modulators of Cannabinoid Receptors CNR1, CNR2, OPRL1 CNR2 2/4885PSEN1 764/4885PSEN2 976/4885

“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.