SCHEMBL3767931

SCHEMBL3767931

CN(C(=O)OC(C)(C)C)C1(COc2cnc(F)c(-c3cccc(C(=O)O)c3)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
BACE1 P56817 2/20 0.35
DDT P30046 1/20 0.34
PTPN11 Q06124 2/20 0.34
STIM1 Q13586 1/20 0.33
ORAI1 Q96D31 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
BRD4 O60885 2/20 0.33
PTGER1 P34995 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
RXRB P28702 1/20 0.32
CREBBP Q92793 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
AXL P30530 1/20 0.32
GPR119 Q8TDV5 1/20 0.32

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
SCHEMBL3779611 0.92 RXRA (0.35) RXRANR1H2NR1H3DDTPTPN11
SCHEMBL3147123 0.90 PTGER1 (0.35) RXRANR1H2NR1H3DDTPTPN11
SCHEMBL3777334 0.85 KMO (0.39) RXRANR1H2NR1H3PTPN11MRGPRX4
SCHEMBL3778732 0.82 MAP4K4 (0.34) BRD4CREBBPGPR119
SCHEMBL3776682 0.80 JMJD6 (0.36)
SCHEMBL3137227 0.79 FFAR4 (0.36) BRD4CREBBPGPR119
SCHEMBL3151485 0.78 SLC6A9 (0.37) CHRNB2CHRNA4GPR119
SCHEMBL3151351 0.76 PTGDR2 (0.38) CREBBP
SCHEMBL3773208 0.76 CHEK1 (0.40) RXRARXRBGPR119
SCHEMBL3151304 0.76 CYP11B1 (0.39) AKR1C3AKR1C2

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-20100317698-A1 Polysubstituted Pyridinylaminoalkylene- and Pyridinyloxyalkylene-Cyclopropanamine Compounds, a Process for Their Preparation and Pharmaceutical Compositions Containing Them LES LABORATOIRES SERVIER (FR) 2010-12-16 US disclosed
US-20100317697-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-12-16 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-20100317698-A1 Polysubstituted Pyridinylaminoalkylene- and Pyridinyloxyalkylene-Cyclopropanamine Compounds, a Process for Their Preparation and Pharmaceutical Compositions Containing Them CHRNA6, CHRNE, CHRNG RXRA 38/4885NR1H2 77/4885NR1H3 74/4885
US-20100317697-A1 Renin Inhibitors REN, ACE, SERPINB1 RXRA 1080/4885NR1H2 1061/4885NR1H3 1010/4885

“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.