SCHEMBL8419562

SCHEMBL8419562

CCC(C)c1cccc(-c2ccncc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 4/20 0.50
▸ HDAC4 P56524 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ PRMT6 Q96LA8 1/20 0.46
▸ PRKCI P41743 1/20 0.46
▸ KIF11 P52732 1/20 0.46
▸ CTSL P07711 1/20 0.45
▸ CTSB P07858 1/20 0.45
▸ CTSS P25774 1/20 0.45
▸ CTSK P43235 1/20 0.45
▸ CTSA P10619 2/20 0.44
▸ LARS1 Q9P2J5 1/20 0.44
▸ PSEN1 P49768 1/20 0.43
▸ PSEN2 P49810 1/20 0.43
▸ APH1B Q8WW43 1/20 0.43
▸ NCSTN Q92542 1/20 0.43
▸ APH1A Q96BI3 1/20 0.43
▸ PSENEN Q9NZ42 1/20 0.43
▸ NOTUM Q6P988 1/20 0.42

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
SCHEMBL198138 0.87 HDAC4 (0.56) CYP17A1HDAC4HDAC2HDAC8CTSL
SCHEMBL18092986 0.85 HDAC4 (0.51) CYP17A1HDAC4HDAC2HDAC8CTSL
SCHEMBL8729744 0.85 HDAC4 (0.51) CYP17A1HDAC4HDAC2HDAC8CTSL
SCHEMBL13725634 0.83 EPHX2 (0.49) CYP17A1HDAC4HDAC2HDAC8PRMT6
SCHEMBL84433 0.82 RXRA (0.54) CYP17A1HDAC4HDAC2HDAC8PRMT6
SCHEMBL14113522 0.81 CTSK (0.47) CYP17A1HDAC4HDAC2HDAC8CTSK
SCHEMBL12303217 0.81 CTSS (0.53) CYP17A1PRMT6PRKCIKIF11CTSL
SCHEMBL10025249 0.81 EPHX2 (0.47) CYP17A1HDAC4HDAC2HDAC8PRMT6
SCHEMBL14113264 0.80 CYP17A1 (0.50) CYP17A1KIF11CYP3A4CYP19A1CYP11B1
SCHEMBL9656296 0.79 PTGS2 (0.48) CYP17A1HDAC4HDAC2HDAC8RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant SCHERING CORPORATION 2007-06-21 — — 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-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant CNR2, GPR119, GLP1R CYP17A1 783/4885HDAC4 245/4885HDAC2 223/4885

“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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