SCHEMBL6495669

SCHEMBL6495669

O=C1N(C2CCN(Cc3ccccc3)CC2)CCCC1(Cl)Cl

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 11/20 0.55
CHRM2 P08172 10/20 0.55
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
OPRL1 P41146 3/20 0.50
F10 P00742 3/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
OPRM1 P35372 2/20 0.48
OPRK1 P41145 1/20 0.48
ACHE P22303 1/20 0.48
F2 P00734 2/20 0.47
PRSS1 P07477 1/20 0.47

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
SCHEMBL6495673 0.82 MEN1 (0.49) CHRM3CHRM2OPRL1OPRM1OPRK1
SCHEMBL4585565 0.82 LTA4H (0.60) CHRM3CHRM2DRD2DRD4DRD3
SCHEMBL18660281 0.82 MEN1 (0.45) CHRM3CHRM2CYP3A4CYP2D6CYP2C19
SCHEMBL6491848 0.81 LTA4H (0.65) CHRM3CHRM2DRD2DRD4DRD3
SCHEMBL11217794 0.77 OPRL1 (0.57) CHRM3CHRM2DRD2DRD4DRD3
SCHEMBL23296895 0.76 CHRM2 (0.54) CHRM3CHRM2DRD2DRD4DRD3
SCHEMBL6223173 0.75 LTA4H (0.59) CHRM3CHRM2DRD2DRD4DRD3
SCHEMBL5093540 0.75 KMT2A (0.73) CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL31437068 0.75 CHRM3 (0.61) CHRM3CHRM2DRD2DRD4DRD3
SCHEMBL11390291 0.74 CHRM2 (0.60) CHRM3CHRM2DRD2DRD4DRD3

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-6949550-B2 Substituted amino methyl factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-27 US disclosed
US-20030212054-A1 Substituted amino methyl factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-11-13 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-20030212054-A1 Substituted amino methyl factor Xa inhibitors F11, F10, F9 CHRM3 3875/4885CHRM2 3860/4885DRD2 4000/4885

“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.