SCHEMBL25136339

SCHEMBL25136339

CC(C)C1CC(c2ccc(C(F)(F)F)nc2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.41
HDAC4 P56524 1/20 0.40
HRH3 Q9Y5N1 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
PSEN1 P49768 3/20 0.34
PSEN2 P49810 3/20 0.34
APH1B Q8WW43 3/20 0.34
NCSTN Q92542 3/20 0.34
APH1A Q96BI3 3/20 0.34
PSENEN Q9NZ42 3/20 0.34
CETP P11597 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
IDH1 O75874 2/20 0.33
KCNH2 Q12809 1/20 0.33
IDH2 P48735 1/20 0.33

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
SCHEMBL25025789 0.79 TRPV4 (0.44) TRPV4HDAC4HRH3TRPM8KDM1A
SCHEMBL25005545 0.78 HRH3 (0.43) TRPV4HDAC4HRH3TRPM8KDM1A
SCHEMBL24974346 0.78 LIPE (0.43) TRPV4CHRNB2CHRNA4
SCHEMBL21503699 0.78 LIPE (0.43) TRPV4CHRNB2CHRNA4
SCHEMBL25136329 0.77 HDAC4 (0.44) HDAC4IDH1IDH2
SCHEMBL31484342 0.77 TRPV4 (0.46) TRPV4HDAC4HRH3KCNH2
SCHEMBL20757589 0.77 TRPV4 (0.46) TRPV4HDAC4HRH3KCNH2
SCHEMBL25920490 0.75 HRH3 (0.47) TRPV4HDAC4HRH3KDM1AMAOA
SCHEMBL21503666 0.74 CHRNB2 (0.53) TRPV4CHRNA7CHRNB2CHRNA4
SCHEMBL26703986 0.74 CHRNB2 (0.53) TRPV4CHRNA7CHRNB2CHRNA4

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-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CYTOKINETICS, INC. 2023-04-20 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-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CD38, CXCR4, FCGRT TRPV4 1131/4885HDAC4 121/4885HRH3 1379/4885

“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.