SCHEMBL5640065

SCHEMBL5640065

CC(C)(CN1CCCC1)c1ccc(N2CC(CNC(=O)c3cc4ccccc4s3)CC2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 1/20 0.44
▸ SLC6A2 P23975 2/20 0.40
▸ SLC6A4 P31645 2/20 0.40
▸ OPRM1 P35372 2/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ DRD3 P35462 8/20 0.40
▸ DRD2 P14416 6/20 0.40
▸ DRD4 P21917 3/20 0.40
▸ KDM2B Q8NHM5 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ DRD1 P21728 3/20 0.38
▸ HTR1A P08908 2/20 0.38
▸ HTR2A P28223 2/20 0.38
▸ ADRA1D P25100 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ ADRA1B P35368 1/20 0.38
▸ HTR2B P41595 1/20 0.38

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
SCHEMBL5644133 0.85 RAB9A (0.41) ACKR3SLC6A2SLC6A4OPRM1OPRD1
SCHEMBL5639756 0.85 BCHE (0.50) SLC6A2SLC6A4RAB9AHTR1A
SCHEMBL5637612 0.84 F10 (0.51) SLC6A2SLC6A4OPRM1RAB9AF10
SCHEMBL5641226 0.83 F10 (0.51) F10
SCHEMBL5639345 0.83 SLC6A2 (0.42) ACKR3SLC6A2SLC6A4OPRM1OPRD1
SCHEMBL5643279 0.83 TP53 (0.49) SLC6A2SLC6A4OPRK1DRD3DRD2
SCHEMBL5641995 0.82 KDM4E (0.48) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL5643104 0.79 BCHE (0.43) SLC6A4HTR1AF10
SCHEMBL5640468 0.78 F10 (0.48) F10
SCHEMBL5642154 0.78 F10 (0.45) 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 ACKR3 3307/4885SLC6A2 4473/4885SLC6A4 3912/4885

“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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