SCHEMBL18833477

SCHEMBL18833477

O=C(O)NC1CCc2cc(C(=O)Nc3cccc(OC(F)(F)F)c3)ccc2C1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
TRPV1 Q8NER1 1/20 0.49
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
BRAF P15056 3/20 0.44
P2RX1 P51575 1/20 0.44
RAF1 P04049 1/20 0.44
NAMPT P43490 1/20 0.44
GPR142 Q7Z601 1/20 0.43

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
SCHEMBL28394405 0.89 NPC1 (0.49) NPC1RAB9ATRPV1ALDH1A1GAA
SCHEMBL17478466 0.87 RAB9A (0.66) NPC1RAB9ATRPV1ALDH1A1
SCHEMBL17478329 0.85 NPC1 (0.53) NPC1RAB9ATRPV1
SCHEMBL17478337 0.85 NPC1 (0.53) NPC1RAB9ATRPV1
SCHEMBL17478327 0.85 NPC1 (0.53) NPC1RAB9ATRPV1
Hydrochloric Acid SCHEMBL17478324 0.84 NPC1 (0.52) NPC1RAB9ATRPV1
SCHEMBL17478526 0.78 NPC1 (0.49) NPC1RAB9ANAMPT
SCHEMBL28395329 0.78 RAB9A (0.61) NPC1RAB9ATRPV1ALDH1A1
SCHEMBL18833458 0.74 RAF1 (0.48) RAF1
SCHEMBL5498009 0.74 RAB9A (0.71) NPC1RAB9AALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3174853-B1 6-AMINO-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL OR 3-AMINOCHROMAN-7-YL DERIVATIVES AS TAAR MODULATORS HOFFMANN LA ROCHE (CH) 2018-12-12 EP disclosed
US-9957261-B2 6-amino-5,6,7,8-tetrahydronaphthalen-2-yl or 3-aminochroman-7-yl derivatives HOFFMAN-LA ROCHE INC. (US) 2018-05-01 US disclosed
US-20170137416-A1 6-AMINO-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL OR 3-AMINOCHROMAN-7-YL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-05-18 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-20170137416-A1 6-AMINO-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL OR 3-AMINOCHROMAN-7-YL DERIVATIVES TAAR5, TAAR1, HTR1A NPC1 1667/4885RAB9A 1942/4885TRPV1 491/4885

“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.