SCHEMBL2798686

SCHEMBL2798686

CN1CCCN=C1c1ccc(N2C[C@H](CN)OC2=O)cc1F

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 6/20 0.49
F10 P00742 1/20 0.46
MAOA P21397 7/20 0.45
MAOB P27338 1/20 0.44
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL2800968 0.88 F10 (0.46) CALML3F10MAOAMAOB
SCHEMBL2798683 0.84 MAOA (0.51) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL2800501 0.83 F10 (0.54) F10
SCHEMBL13232200 0.79 F10 (0.69) F10
SCHEMBL20511388 0.78 CALML3 (0.55) CALML3F10MAOAMAOBCYP3A4
SCHEMBL20511389 0.78 CALML3 (0.55) CALML3F10MAOAMAOBCYP3A4
SCHEMBL2796423 0.77 F10 (0.56) F10
SCHEMBL18786445 0.77 CALML3 (0.60) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL18786417 0.77 CALML3 (0.60) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL3523994 0.77 F10 (0.59) CALML3F10MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288423-B2 FXa inhibitors with cyclic amidines as P4 subunit, processes for their preparations, and pharmaceutical compositions and derivatives thereof LEGOCHEM BIOSCIENCE LTD. (KR) 2012-10-16 US disclosed
US-20100184781-A1 FXA INHIBITORS WITH CYCLIC AMIDINES AS P4 SUBUNIT, PROCESSES FOR THEIR PREPARATIONS, AND PHARMACEUTICAL COMPOSITIONS AND DERIVATIVES THEREOF LEGOCHEM BIOSCIENCE LTD. (KR) 2010-07-22 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-20100184781-A1 FXA INHIBITORS WITH CYCLIC AMIDINES AS P4 SUBUNIT, PROCESSES FOR THEIR PREPARATIONS, AND PHARMACEUTICAL COMPOSITIONS AND DERIVATIVES THEREOF F12, F2, TFPI CALML3 4102/4885F10 4/4885MAOA 1142/4885

“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.