SCHEMBL757203

SCHEMBL757203

NCC1(c2cccc(C(F)(F)F)c2)CCOCC1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.74
SLC6A3 Q01959 4/20 0.50
PRKACA P17612 2/20 0.50
PRKCQ Q04759 2/20 0.50
SLC6A2 P23975 1/20 0.50
PRKCA P17252 1/20 0.50
FLT3 P36888 1/20 0.50
PRKCD Q05655 1/20 0.50
PRKACG P22612 1/20 0.49
PRKACB P22694 1/20 0.49
KDM1A O60341 2/20 0.48
KCNN4 O15554 2/20 0.42
TAAR1 Q96RJ0 2/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
ICMT O60725 1/20 0.42
OPRL1 P41146 1/20 0.40
DPP4 P27487 1/20 0.40

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
SCHEMBL7898287 0.86 SLC6A4 (0.91) SLC6A4SLC6A3PRKCQSLC6A2PRKCA
SCHEMBL26921654 0.86 SLC6A4 (0.97) SLC6A4SLC6A3SLC6A2KDM1ADPP4
SCHEMBL8235298 0.85 SLC6A4 (0.68) SLC6A4SLC6A3PRKACAPRKCQSLC6A2
SCHEMBL3520513 0.85 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2KDM1ADPP4
Hydrochloric Acid SCHEMBL3910851 0.84 SLC6A4 (0.67) SLC6A4SLC6A3PRKCQSLC6A2PRKCA
SCHEMBL12585395 0.82 SLC6A4 (0.74) SLC6A4SLC6A3SLC6A2KDM1A
SCHEMBL7896269 0.81 SLC6A3 (0.71) SLC6A4SLC6A3PRKACAPRKCQSLC6A2
SCHEMBL5704797 0.81 SLC6A4 (0.72) SLC6A4SLC6A3SLC6A2KDM1AKCNN4
SCHEMBL2702974 0.80 ICMT (0.53) SLC6A4SLC6A3PRKACAPRKCQSLC6A2
SCHEMBL15043708 0.80 SLC6A4 (0.48) SLC6A4SLC6A3SLC6A2ICMT

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 9 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-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
US-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators PFIZER INC. (US) 2012-03-01 US disclosed
US-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators PFIZER INC. (US) 2012-03-01 US disclosed
US-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators PFIZER INC. (US) 2012-03-01 US 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

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 SLC6A4 4355/4885SLC6A3 4299/4885PRKACA 797/4885
US-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators BACE1, BACE2, PSEN1 SLC6A4 3299/4885SLC6A3 3360/4885PRKACA 665/4885

“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.