SCHEMBL3007640

SCHEMBL3007640

CC(C)(C)OC(=O)N1CCc2cc(NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc3ccccc3)ccc2C1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 9/20 0.49
MAOA P21397 7/20 0.49
RCOR1 Q9UKL0 3/20 0.49
KDM1B Q8NB78 1/20 0.49
ESR2 Q92731 1/20 0.49
P2RX7 Q99572 7/20 0.49
MAOB P27338 2/20 0.49
MMP8 P22894 1/20 0.48

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
SCHEMBL3007646 1.00 KDM1A (0.49) KDM1AMAOARCOR1KDM1BESR2
SCHEMBL4169157 0.90 CTSL (0.47) ESR2P2RX7MMP8
SCHEMBL3664494 0.89 KDM1A (0.55) KDM1AMAOARCOR1KDM1BMAOB
SCHEMBL2181843 0.88 ESR2 (0.58) ESR2
SCHEMBL4930098 0.85 CTSL (0.47) ESR2P2RX7MMP8
Iodide SCHEMBL4639203 0.85 TMEM97 (0.44) ESR2P2RX7MMP8
SCHEMBL3007628 0.84 ESR2 (0.53) ESR2
SCHEMBL3007625 0.84 ESR2 (0.53) ESR2
SCHEMBL17797697 0.83 TMEM97 (0.55) ESR2
SCHEMBL17797552 0.79 TMEM97 (0.55) ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152664-B1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-09-03 EP disclosed
US-8367709-B2 Dipeptide analogs as coagulation factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-05 US disclosed
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-08 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-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS F11, TFPI, SERPINC1 KDM1A 2025/4885MAOA 2584/4885RCOR1 4054/4885

“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.