SCHEMBL2940967

SCHEMBL2940967

CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cnc3cc(Cl)ccc3c2)[C@H](N(C(=O)O)C(C)(C)C)C1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.56
ACKR3 P25106 1/20 0.40
HPGDS O60760 10/20 0.40

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
SCHEMBL2940481 0.88 F10 (0.55) F10
SCHEMBL2941006 0.86 F10 (0.55) F10HPGDS
SCHEMBL2941647 0.85 F10 (0.56) F10
SCHEMBL1503898 0.84 F10 (0.67) F10
SCHEMBL2942510 0.82 F10 (0.49) F10
SCHEMBL4270723 0.82 F10 (0.62) F10HPGDS
SCHEMBL6361621 0.78 F10 (0.57) F10
SCHEMBL6367167 0.77 F10 (0.51) F10
SCHEMBL330025 0.76 F10 (0.52) F10
SCHEMBL6363570 0.76 F10 (0.52) F10

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-20100093785-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 US disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 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 (2 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-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R F10 72/4885ACKR3 935/4885HPGDS 195/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R F10 196/4885ACKR3 1456/4885HPGDS 386/4885

“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.