SCHEMBL18833458

SCHEMBL18833458

O=C(O)NC1CCc2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.48
HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL28386350 0.88 RAF1 (0.45) RAF1HDAC8
SCHEMBL17478361 0.85
SCHEMBL17478328 0.85
Hydrochloric Acid SCHEMBL17478355 0.84
SCHEMBL17478507 0.81 HDAC8 (0.46) HDAC8
SCHEMBL18833465 0.80 EPHX2 (0.46)
SCHEMBL17478470 0.76 SMO (0.46)
SCHEMBL18833477 0.74 NPC1 (0.50) RAF1
SCHEMBL18833455 0.73 CHEK1 (0.40)
SCHEMBL18833476 0.73 APOB (0.45)

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 RAF1 1483/4885HDAC8 1365/4885

“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.