SCHEMBL5638949

SCHEMBL5638949

CN(C)Cc1nccn1-c1ccc(N2CC(CNC(=O)c3ccc(-c4cccs4)s3)CC2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 14/20 0.45
▸ CHRNA7 P36544 2/20 0.38
▸ HTR3E A5X5Y0 1/20 0.38
▸ HTR3B O95264 1/20 0.38
▸ HTR3A P46098 1/20 0.38
▸ HTR3D Q70Z44 1/20 0.38
▸ HTR3C Q8WXA8 1/20 0.38
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNA4 P43681 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
SCHEMBL5638157 0.89 F10 (0.55) F10
SCHEMBL5639920 0.87 F10 (0.49) F10ALDH1A1
SCHEMBL5640242 0.86 F10 (0.60) F10
SCHEMBL5638391 0.82 F10 (0.43) F10CHRNA7HTR3EHTR3BHTR3A
SCHEMBL5642215 0.82 F10 (0.42) F10RAB9A
SCHEMBL5643102 0.82 F10 (0.46) F10LMNATP53KDM4EALDH1A1
SCHEMBL5641487 0.80 HDAC1 (0.38) F10CHRNA7HTR3EHTR3BHTR3A
SCHEMBL5641253 0.80 F10 (0.44) F10
SCHEMBL5643197 0.80 F10 (0.42) F10HDAC1ALDH1A1
SCHEMBL5639572 0.79 F10 (0.44) 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-7199149-B2 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-04-03 — — US disclosed
US-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMANY 2005-05-19 — — 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-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors F2, F12, SPINT2 F10 18/4885CHRNA7 4753/4885HTR3E 2437/4885

“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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