SCHEMBL6920007

SCHEMBL6920007

Cc1cc(Cl)cc2c1OCC2N

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.39
AR P10275 1/20 0.33
AKR1B1 P15121 1/20 0.31
PTGS2 P35354 2/20 0.30
PTGS1 P23219 1/20 0.30
HTR2A P28223 1/20 0.30

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
SCHEMBL6340390 0.80 CNR1 (0.34) TAAR1AR
SCHEMBL7899513 0.79 NOS3 (0.36) HTR2A
SCHEMBL11916734 0.68 MEN1 (0.38) TAAR1AKR1B1
SCHEMBL11916736 0.67 DRD2 (0.44) TAAR1
SCHEMBL761292 0.67 DRD2 (0.44) TAAR1
SCHEMBL27490447 0.66 AR (0.32) ARAKR1B1
Hydrochloric Acid SCHEMBL759297 0.66 DRD2 (0.43) TAAR1
SCHEMBL5158063 0.65 PTGDR2 (0.39) AKR1B1PTGS2PTGS1
SCHEMBL570931 0.64 SLC2A1 (0.37) AR
SCHEMBL14275637 0.64 UGT2B17 (0.35)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202787-A1 Novel Heteroaryl Imidazoles And Heteroaryl Triazoles As Gamma-Secretase Modulators PFIZER INC. 2012-08-09 US disclosed
US-20120202787-A1 Novel Heteroaryl Imidazoles And Heteroaryl Triazoles As Gamma-Secretase Modulators PFIZER INC. 2012-08-09 US disclosed
WO-2011048525-A1 NOVEL HETEROARYL IMIDAZOLES AND HETEROARYL TRIAZOLES AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2011-04-28 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 (1 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 TAAR1 3897/4885AR 3003/4885AKR1B1 3937/4885

“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.