SCHEMBL6309508

SCHEMBL6309508

CO[C@H]1CN[C@@H](C(=O)Nc2ccc(-n3ccc(C)n3)cc2F)C1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.41
▸ F10 P00742 5/20 0.39
▸ TYK2 P29597 2/20 0.37
▸ KAT6A Q92794 2/20 0.36
▸ CTSC P53634 1/20 0.36
▸ AVPR2 P30518 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ HDAC4 P56524 1/20 0.35

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
SCHEMBL13726768 0.80 F10 (0.58) F10
SCHEMBL3828763 0.76 F10 (0.49) PARP1F10TYK2
SCHEMBL13725870 0.76 F10 (0.62) F10
SCHEMBL3833337 0.74 F10 (0.71) F10
SCHEMBL24012079 0.71 CTSC (0.41) CTSC
SCHEMBL14039674 0.69 F10 (0.50) F10
SCHEMBL14320133 0.66 CTSC (0.42) CTSCNPC1RAB9A
SCHEMBL3014073 0.66 CTSC (0.42) CTSCNPC1RAB9A
SCHEMBL24012040 0.65 CTSC (0.37) F10CTSCNPC1RAB9A
SCHEMBL13780946 0.65 F10 (0.48) F10CTSC

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-20050250815-A1 Inhibitors of fractor Xa and other serine proteases involved in the coagulation cascade WARNER-LAMBERT COMPANY LLC 2005-11-10 — — 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-20050250815-A1 Inhibitors of fractor Xa and other serine proteases involved in the coagulation cascade F12, TFPI, F11 PARP1 1320/4885F10 9/4885TYK2 4621/4885

“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.

Send feedback