SCHEMBL25358564

SCHEMBL25358564

N#Cc1ccc(C2(C(F)(F)F)CC2)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 6/20 0.35
KCNH2 Q12809 2/20 0.35
CACNA1G O43497 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP2C19 P33261 1/20 0.35
CACNA1C Q13936 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35
ALOX5AP P20292 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.33
DGAT1 O75907 1/20 0.33
TRPA1 O75762 1/20 0.33
CCR2 P41597 1/20 0.32
CCR6 P51684 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
LCAT P04180 1/20 0.31

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
SCHEMBL30531070 1.00 CACNA1H (0.35) CACNA1HKCNH2CACNA1GCYP3A4CYP2C8
SCHEMBL20264735 0.75 HDAC6 (0.40) SCN10AKDM4C
SCHEMBL31026257 0.74 NOS3 (0.36) ALOX5APKDM4C
SCHEMBL24822318 0.74 ALOX5AP (0.39) KCNH2ALOX5APOPRM1OPRL1CHEK1
SCHEMBL24300273 0.74 OPRM1 (0.37) CYP3A4CYP2D6ALOX5APOPRM1OPRL1
SCHEMBL25322547 0.74 TRPA1 (0.40) ALOX5APTRPA1
SCHEMBL516652 0.73 CACNA1H (0.46) CACNA1HKCNH2CACNA1GCYP3A4CYP2C8
SCHEMBL24822314 0.71 AR (0.38) KCNH2CYP2C9SCN10ACCR2CCR6
SCHEMBL25358827 0.70 TRPA1 (0.35) CACNA1HKCNH2CACNA1GCYP3A4CYP2C8
SCHEMBL30531074 0.70 TRPA1 (0.35) CACNA1HKCNH2CACNA1GCYP3A4CYP2C8

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
US-20250122218-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2025-04-17 US disclosed
EP-4476230-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2024-12-18 EP disclosed
WO-2023154291-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 WO disclosed
WO-2023154291-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 WO 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-20250122218-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B CACNA1H 2269/4885KCNH2 1054/4885CACNA1G 1476/4885

“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.