SCHEMBL1986983

SCHEMBL1986983

Oc1ccc(C2CC2)c(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 5/20 0.48
▸ SLC9A1 P19634 5/20 0.45
▸ HTR2C P28335 2/20 0.43
▸ CHRNB2 P17787 1/20 0.42
▸ CHRNA4 P43681 1/20 0.42
▸ PDE3B Q13370 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ RBP4 P02753 2/20 0.40
▸ ADRA1D P25100 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ SLC9A2 Q9UBY0 1/20 0.39
▸ HSD17B1 P14061 1/20 0.39
▸ HSD17B2 P37059 1/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ CYP2C9 P11712 3/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ OPRL1 P41146 1/20 0.38
▸ KIF11 P52732 1/20 0.38

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
SCHEMBL22084408 0.93 SLC9A1 (0.43) NOTUMSLC9A1HTR2CCHRNB2CHRNA4
SCHEMBL3856782 0.91 SLC9A1 (0.43) NOTUMSLC9A1HTR2CCHRNB2CHRNA4
SCHEMBL25385012 0.88 NOTUM (0.43) NOTUMSLC9A1HTR2CCHRNB2CHRNA4
SCHEMBL29566996 0.85 CYP3A4 (0.51) SLC9A1RBP4ADRA1DHTR2ASLC6A3
SCHEMBL24310295 0.85 CYP3A4 (0.51) SLC9A1RBP4ADRA1DHTR2ASLC6A3
SCHEMBL31316981 0.79 CFTR (0.40) NOTUMSLC9A1CHRNB2CHRNA4PDE3B
SCHEMBL3655800 0.77 TRPV1 (0.45) SLC9A1CHRNB2CHRNA4
SCHEMBL16957247 0.77 NOTUM (0.54) NOTUMSLC9A1HTR2CCHRNB2CHRNA4
SCHEMBL14592943 0.77 TSHR (0.53) NOTUMSLC9A1HTR2CCHRNB2CHRNA4
SCHEMBL16957244 0.77 NOTUM (0.51) NOTUMSLC9A1HTR2CPDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102137851-B Compound as vanilloid receptor antagonist, isomer thereof or pharmaceutically acceptable salt thereof, and pharmaceutical composition comprising same AMOREPACIFIC CORP 2014-08-27 — — CN disclosed
EP-2307394-B1 SULPHONAMIDES AS VANILLOID RECEPTOR ANTAGONIST AMOREPACIFIC CORP (KR) 2012-09-26 — — EP disclosed
CN-102137851-A Novel compounds as vanilloid receptor antagonists, isomers thereof or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same AMOREPACIFIC CORP 2011-07-27 — — CN disclosed
US-20110152318-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2011-06-23 — — 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-20110152318-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, TRPV2 NOTUM 3391/4885SLC9A1 183/4885HTR2C 274/4885

“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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