SCHEMBL3779611

SCHEMBL3779611

Cc1ncc(OCC2(N(C)C(=O)OC(C)(C)C)CC2)cc1-c1cccc(C(=O)O)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
DDT P30046 1/20 0.35
PTPN11 Q06124 1/20 0.35
BRD4 O60885 2/20 0.33
PTGER1 P34995 2/20 0.33
EGLN1 Q9GZT9 1/20 0.33
ALOX5AP P20292 1/20 0.33
RXRB P28702 1/20 0.33
CREBBP Q92793 1/20 0.33
AXL P30530 1/20 0.32
RAF1 P04049 1/20 0.32
BRAF P15056 1/20 0.32
STIM1 Q13586 1/20 0.32
ORAI1 Q96D31 1/20 0.32
VDR P11473 1/20 0.32
FOLH1 Q04609 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
SCHEMBL3767931 0.92 RXRA (0.36) RXRANR1H2NR1H3DDTPTPN11
SCHEMBL3147123 0.90 PTGER1 (0.35) RXRANR1H2NR1H3DDTPTPN11
SCHEMBL3778732 0.90 MAP4K4 (0.34) BRD4CREBBP
SCHEMBL3777334 0.85 KMO (0.39) RXRANR1H2NR1H3PTPN11ALOX5AP
SCHEMBL3776682 0.82 JMJD6 (0.36)
SCHEMBL3137227 0.80 FFAR4 (0.36) BRD4CREBBP
SCHEMBL3137025 0.78 SMN1; SMN2 (0.36)
SCHEMBL3773208 0.77 CHEK1 (0.40) RXRARXRB
Hydrochloric Acid SCHEMBL3782911 0.76 DDT (0.39) DDTPTPN11PTGER1AXL
SCHEMBL28929747 0.76 RXRA (0.41) RXRARXRB

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 1 patent. 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

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-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

“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.