SCHEMBL429377

SCHEMBL429377

COCCOCCOC(C)(c1ccc(N)cc1)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.36
NPC1 O15118 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
KIF11 P52732 1/20 0.33
MAOB P27338 2/20 0.33
APP P05067 2/20 0.31
EPHX2 P34913 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
SCHEMBL15315135 0.93 RORC (0.32) RORCNPC1MAPTRAB9AALDH1A1
SCHEMBL464531 0.83 RORC (0.49) RORCNPC1MAPTRAB9AALDH1A1
SCHEMBL3893600 0.78 RORC (0.46) RORCNPC1MAPTRAB9AALDH1A1
SCHEMBL13046493 0.75 MAPT (0.44) NPC1MAPTRAB9AALDH1A1HPGD
SCHEMBL394967 0.74 NPC1 (0.47) NPC1MAPTRAB9AALDH1A1HPGD
SCHEMBL429374 0.71 ALDH1A1 (0.52) ALDH1A1MAOB
SCHEMBL12753477 0.70 RORC (0.35) RORCMAPTALDH1A1
SCHEMBL20956396 0.67 RAB9A (0.40) NPC1MAPTRAB9AALDH1A1HPGD
SCHEMBL20956395 0.67 RAB9A (0.40) NPC1MAPTRAB9AALDH1A1HPGD
SCHEMBL19179675 0.67 RAB9A (0.40) NPC1MAPTRAB9AALDH1A1HPGD

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-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 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-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO RORC 3621/4885NPC1 434/4885MAPT 4726/4885

“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.