SCHEMBL10107582

SCHEMBL10107582

CC(C#N)(O[Si](C)(C)C)c1cccc(F)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.36
CYP19A1 P11511 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ACHE P22303 1/20 0.32
KIF11 P52732 1/20 0.31
MDM4 O15151 2/20 0.31
TP53 P04637 2/20 0.31
MDM2 Q00987 2/20 0.31
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM3 P20309 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
SCHEMBL10516000 0.80 SQOR (0.35) HDAC6
SCHEMBL28444276 0.80 DYRK1A (0.41) ACHEKIF11TP53ADORA2BADORA1
SCHEMBL1269231 0.80 MAPK1 (0.39) CHRM2CHRM3
SCHEMBL6563216 0.77 KIF11 (0.32) KIF11
SCHEMBL6724604 0.75 CASR (0.37)
SCHEMBL1492878 0.74 KCNN4 (0.43) KCNN4CYP19A1HDAC3HDAC1HDAC2
SCHEMBL28945248 0.73 KCNN4 (0.46) KCNN4CYP19A1HDAC3HDAC1HDAC2
SCHEMBL30239719 0.73 KCNN4 (0.46) KCNN4CYP19A1HDAC3HDAC1HDAC2
SCHEMBL15693460 0.72 PRKCQ (0.44) KCNN4CYP19A1HDAC3HDAC1HDAC2
SCHEMBL28451515 0.71 TSHR (0.40) CYP19A1

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-8114880-B2 Piperidine or piperazine substituted tetrahydro-naphthalene-1-carboxylic acid MTP inhibiting compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-14 US disclosed
US-20090325980-A1 PIPERIDINE OR PIPERAZINE SUBSTITUTED TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID MTP INHIBITING COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-31 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-20090325980-A1 PIPERIDINE OR PIPERAZINE SUBSTITUTED TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID MTP INHIBITING COMPOUNDS PNLIP, APOB, LIPC KCNN4 4563/4885CYP19A1 2750/4885HDAC3 1701/4885

“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.