SCHEMBL10145754

SCHEMBL10145754

C[C@H](N)c1cccc(-c2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
CFD P00746 1/20 0.48
F11 P03951 1/20 0.48
TPSB2 P20231 1/20 0.48
MAOA P21397 1/20 0.46
ADRA2A P08913 1/20 0.43
ADRA2C P18825 1/20 0.43
LMNA P02545 1/20 0.43
HIF1A Q16665 1/20 0.43
KDM4E B2RXH2 1/20 0.43
DPP4 P27487 2/20 0.42
F2 P00734 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
PTPN5 P54829 1/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41

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
SCHEMBL1252080 1.00 RXRA (0.49) RXRARXRBRXRGCFDF11
SCHEMBL11203809 0.86 RXRA (0.45) RXRARXRBRXRGCFDF11
SCHEMBL5216031 0.84 KIF11 (0.49) RXRARXRBRXRGLMNACTSL
SCHEMBL5888495 0.84 KIF11 (0.49) RXRARXRBRXRGLMNACTSL
SCHEMBL17196498 0.82 F2 (0.59) RXRARXRBRXRGMAOADPP4
SCHEMBL611807 0.82 RXRA (0.67) RXRARXRBRXRGMAOAKDM4E
SCHEMBL29681626 0.82 RXRA (0.67) RXRARXRBRXRGMAOAKDM4E
SCHEMBL5496140 0.82 DPP4 (0.48) RXRARXRBRXRGMAOAADRA2A
SCHEMBL659099 0.81 ADRB2 (0.46) MAOAADRA2AADRA2CLMNAHIF1A
SCHEMBL14188565 0.80 RXRA (0.65) RXRARXRBRXRGMAOAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators BACE1, BACE2, PSEN1 RXRA 3268/4885RXRB 2354/4885RXRG 2489/4885

“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.