SCHEMBL4097418

SCHEMBL4097418

O=C(Nc1ccc(C(F)(F)C(F)(F)F)c(OC[C@@H](O)CN2CCCC2)c1)c1cccnc1Cl

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 5/20 0.46
RAB9A P51151 1/20 0.46
ABCB1 P08183 6/20 0.45
GAA P10253 2/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
ACKR3 P25106 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
SCHEMBL448598 1.00 MAPT (0.49) MAPTSMN1; SMN2ALDH1A1RAB9AABCB1
SCHEMBL449465 0.88 MAPT (0.50) MAPTSMN1; SMN2ALDH1A1RAB9AGAA
SCHEMBL449466 0.88 MAPT (0.50) MAPTSMN1; SMN2ALDH1A1RAB9AGAA
SCHEMBL448263 0.86 MAPT (0.53) MAPTSMN1; SMN2ALDH1A1RAB9AGAA
SCHEMBL449974 0.85 KDR (0.54) ABCB1
SCHEMBL447736 0.85 KDR (0.54) ABCB1
SCHEMBL447267 0.83 MAPT (0.47) MAPTSMN1; SMN2ALDH1A1RAB9AGAA
SCHEMBL447266 0.83 MAPT (0.47) MAPTSMN1; SMN2ALDH1A1RAB9AGAA
SCHEMBL3894342 0.81 KDR (0.51) SMN1; SMN2RAB9AABCB1KDM4E
SCHEMBL13867915 0.81 KDR (0.51) SMN1; SMN2RAB9AABCB1KDM4E

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 4 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-8247430-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2012-08-21 US disclosed
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-06-04 US disclosed
US-6995162-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2006-02-07 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-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 MAPT 3731/4885SMN1; SMN2 2577/4885ALDH1A1 104/4885

“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.