SCHEMBL24913685

SCHEMBL24913685

CC1CCN([C@H](c2ccc(F)cc2)c2ccc([C@@H](C)C(=O)O)cc2-c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 1.00
PTGS1 P23219 1/20 1.00
PTGS2 P35354 1/20 1.00
PSEN1 P49768 1/20 1.00
PSEN2 P49810 1/20 1.00
APH1B Q8WW43 1/20 1.00
NCSTN Q92542 1/20 1.00
APH1A Q96BI3 1/20 1.00
PSENEN Q9NZ42 1/20 1.00
AKR1C3 P42330 11/20 0.53
AKR1C2 P52895 11/20 0.53
APP P05067 4/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 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
SCHEMBL2847511 1.00 KCNH2 (1.00) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2846664 1.00 KCNH2 (1.00) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2844065 0.90 KCNH2 (0.82) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2841532 0.90 KCNH2 (0.81) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2853878 0.90 KCNH2 (0.81) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2878421 0.87 KCNH2 (0.77) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2849624 0.87 PSEN1 (0.77) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2846217 0.87 PSEN1 (0.77) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2846415 0.85 KCNH2 (0.73) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2872891 0.85 KCNH2 (0.73) KCNH2PTGS1PTGS2PSEN1PSEN2

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-20230029372-A1 THERAPEUTIC COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF DIASTOLIC DYSFUNCTION Ambetex Pty Ltd (AU) 2023-01-26 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-20230029372-A1 THERAPEUTIC COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF DIASTOLIC DYSFUNCTION TNNI3, TNNT2, TNNC1 KCNH2 2136/4885PTGS1 701/4885PTGS2 1063/4885

“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.