SCHEMBL761098

SCHEMBL761098

OC1COc2ccc(Cl)cc21

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.50
HCRTR2 O43614 4/20 0.47
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
CYP19A1 P11511 1/20 0.40
ADRA2A P08913 1/20 0.39
AHR P35869 1/20 0.39
MAOB P27338 2/20 0.39
TERT O14746 1/20 0.38
MAOA P21397 1/20 0.37

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
SCHEMBL12533501 0.85 MAP3K14 (0.69) MAP3K14HCRTR2CYP19A1AHR
SCHEMBL24393413 0.81 MAP3K14 (0.75) MAP3K14HCRTR2DRD2DRD3ADRA2A
SCHEMBL16397491 0.81 MAP3K14 (0.75) MAP3K14HCRTR2DRD2DRD3ADRA2A
SCHEMBL24997240 0.81 MAP3K14 (0.75) MAP3K14HCRTR2DRD2DRD3ADRA2A
SCHEMBL11170247 0.80 HCRTR2 (0.41) MAP3K14HCRTR2DRD2DRD3TERT
SCHEMBL11173169 0.80 HCRTR2 (0.41) MAP3K14HCRTR2DRD2DRD3TERT
SCHEMBL10554627 0.80 HCRTR2 (0.41) MAP3K14HCRTR2DRD2DRD3TERT
SCHEMBL6899244 0.79 HCRTR2 (0.43) MAP3K14HCRTR2DRD2DRD3CYP19A1
SCHEMBL16519791 0.79 HCRTR2 (0.49) MAP3K14HCRTR2DRD2DRD3TERT
Hydrochloric Acid SCHEMBL10555880 0.78 HCRTR2 (0.41) MAP3K14HCRTR2DRD2DRD3TERT

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
EP-2491026-A1 NOVEL HETEROARYL IMIDAZOLES AND HETEROARYL TRIAZOLES AS GAMMA-SECRETASE MODULATORS Pfizer Inc. (US) 2012-08-29 EP disclosed
US-20120202787-A1 Novel Heteroaryl Imidazoles And Heteroaryl Triazoles As Gamma-Secretase Modulators PFIZER INC. 2012-08-09 US disclosed
US-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators PFIZER INC. (US) 2012-03-01 US disclosed
EP-2403835-A1 NOVEL PHENYL IMIDAZOLES AND PHENYL TRIAZOLES AS GAMMA-SECRETASE MODULATORS Pfizer Inc. (US) 2012-01-11 EP disclosed
WO-2011048525-A1 NOVEL HETEROARYL IMIDAZOLES AND HETEROARYL TRIAZOLES AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2011-04-28 WO disclosed
WO-2010100606-A1 NOVEL PHENYL IMIDAZOLES AND PHENYL TRIAZOLES AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2010-09-10 WO disclosed
US-3976663-A INSECTICIDE THE PROCTER & GAMBLE COMPANY (US) 1976-08-24 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-20120202787-A1 Novel Heteroaryl Imidazoles And Heteroaryl Triazoles As Gamma-Secretase Modulators BACE1, BACE2, GSAP MAP3K14 2548/4885HCRTR2 2405/4885DRD2 4221/4885
US-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators BACE1, BACE2, PSEN1 MAP3K14 1934/4885HCRTR2 2994/4885DRD2 4173/4885

“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.