SCHEMBL4780239

SCHEMBL4780239

c1cc2c3c(n1)ncn3CCC2

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ROCK1 Q13464 1/20 0.32
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL405139 0.71 DRD2 (0.48) HTR2AHTR2C
SCHEMBL23719718 0.68 ALDH1A1 (0.36) NOS3NOS1NOS2HTR2AHTR2C
SCHEMBL406231 0.67 DRD2 (0.47) HTR2AHTR2C
SCHEMBL23746915 0.65 ALDH1A1 (0.33) HTR2AHTR2CROCK1
SCHEMBL401463 0.59 DRD2 (0.50)
SCHEMBL23107125 0.58 CCR1 (0.35) NOS3NOS2
SCHEMBL31627421 0.57 GABRA1 (0.42) SIGMAR1
SCHEMBL1395813 0.56 MCL1 (0.44) HTR2AHTR2C
SCHEMBL30955312 0.56 MCL1 (0.44) HTR2AHTR2C
SCHEMBL31401032 0.55 NOS3 (0.47) NOS3NOS1NOS2ROCK1

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-20210246140-A1 MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-08-12 US disclosed
US-20210246140-A1 MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-08-12 US disclosed
WO-2021155196-A1 MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 THE GENERAL HOSPITAL CORPORATION (US) 2021-08-05 WO disclosed
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS PFIZER INC. 2008-12-18 US disclosed
WO-2008012622-A2 AZABENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO disclosed
WO-2007135529-A2 AZABENZIMIDAZOLYL COMPOUNDS AS MGLUR2 POTENTIATORS PFIZER PRODUCTS INC. (US) 2007-11-29 WO 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-20210246140-A1 MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 GRM1, GRM2, GRIN1 NOS3 3621/4885NOS1 3091/4885NOS2 2729/4885
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS AZI2, PAICS, UGT2B7 NOS3 2568/4885NOS1 3411/4885NOS2 2314/4885

“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.