SCHEMBL4588557

SCHEMBL4588557

CN(C)CC(=O)N(C)c1ccc(N2CC(CNC(=O)c3ccccc3)CC2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ MTNR1A P48039 1/20 0.41
▸ MTNR1B P49286 1/20 0.41
▸ HDAC8 Q9BY41 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ADRB1 P08588 2/20 0.37
▸ MGLL Q99685 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TP53 P04637 3/20 0.37
▸ HTT P42858 1/20 0.37

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
SCHEMBL4587309 0.90 LMNA (0.47) KDM4EMAPTMEN1POLBKMT2A
SCHEMBL4588026 0.89 MAPT (0.46) KDM4EALDH1A1MAPTPOLBKMT2A
SCHEMBL4588315 0.88 TPSAB1 (0.44) —
SCHEMBL5640079 0.81 KDM4E (0.47) CTSLCTSBCTSKKDM4EPKM
SCHEMBL5643265 0.81 F10 (0.43) MAPTMEN1KMT2ATP53LMNA
SCHEMBL5642492 0.79 TP53 (0.45) KDM4EALDH1A1MAPTTP53HTT
SCHEMBL5642367 0.78 HDAC1 (0.39) HDAC8HDAC6ALDH1A1MAPTMEN1
SCHEMBL5642348 0.78 BCHE (0.49) HDAC8HDAC6MAPTMEN1POLB
SCHEMBL4586428 0.78 KCNH2 (0.47) ALDH1A1MEN1KMT2ANPC1TP53
SCHEMBL5641371 0.78 L3MBTL1 (0.38) KDM4EHDAC8HDAC6ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667647-A4 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-10-22 — — EP disclosed
US-7199149-B2 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-04-03 — — US disclosed
EP-1667647-A2 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2006-06-14 — — EP disclosed
US-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMANY 2005-05-19 — — US disclosed
WO-2005032468-A2 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-14 — — WO 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-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors F2, F12, SPINT2 CTSL 105/4885CTSB 169/4885CTSK 231/4885

“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.

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