SCHEMBL17362256

SCHEMBL17362256

CC(C)(C)n1cnc2cc(-c3cccc(-c4ccccc4)c3F)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.46
▸ RAB9A P51151 8/20 0.46
▸ HPGD P15428 2/20 0.46
▸ MAPT P10636 4/20 0.42
▸ GAA P10253 3/20 0.42
▸ TP53 P04637 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ GABRA1 P14867 1/20 0.38
▸ GABRG2 P18507 1/20 0.38
▸ GABRB3 P28472 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ GABRA3 P34903 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ HIF1A Q16665 1/20 0.37

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
SCHEMBL17362343 0.81 HCAR1 (0.39) NPC1RAB9AHPGDHCAR1
SCHEMBL17362135 0.74 GRIN2B (0.44) —
SCHEMBL15288090 0.70 BTK (0.52) NPC1RAB9AHPGDMAPTSMN1; SMN2
SCHEMBL17362321 0.70 SCN9A (0.39) NPC1RAB9AHPGDMAPTSMN1; SMN2
SCHEMBL17362242 0.69 ALOX5AP (0.39) NPC1RAB9AMAPTSMN1; SMN2HCAR1
SCHEMBL2614317 0.69 NPC1 (0.49) NPC1RAB9AHPGDMAPTGAA
SCHEMBL17362391 0.68 GRIN2B (0.35) MAPTLMNA
SCHEMBL19911318 0.68 NPC1 (0.61) NPC1RAB9AHPGDMAPTGAA
SCHEMBL23772972 0.68 KDR (0.57) NPC1RAB9AALDH1A1GABRA1GABRG2
SCHEMBL19915937 0.67 NPC1 (0.49) NPC1RAB9AHPGDMAPTGAA

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-9745328-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2017-08-29 — — US disclosed
US-20150376212-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-31 — — 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-20150376212-A1 FLAP MODULATORS FEN1, PGF, TBXA2R NPC1 3377/4885RAB9A 2447/4885HPGD 119/4885

“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.

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