SCHEMBL5645130

SCHEMBL5645130

Ic1ccc(C2(CN3CCCC3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.51
SLC6A4 P31645 4/20 0.51
SLC6A3 Q01959 4/20 0.51
F10 P00742 5/20 0.39
F2 P00734 1/20 0.39
SIGMAR1 Q99720 6/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
OPRM1 P35372 2/20 0.36
OPRL1 P41146 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
SCHEMBL10640 0.84 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3F10
SCHEMBL5786234 0.82 SIGMAR1 (0.43) SLC6A2SLC6A4SLC6A3F10SIGMAR1
SCHEMBL8352677 0.81 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3F10F2
SCHEMBL5827078 0.81 SLC6A4 (0.59) SLC6A2SLC6A4SLC6A3F10F2
Ammonia Solution, Strong SCHEMBL5827077 0.80 SLC6A4 (0.58) SLC6A2SLC6A4SLC6A3F10F2
SCHEMBL8353033 0.76 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3F10F2
SCHEMBL8351046 0.76 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3
SCHEMBL5642929 0.76 F10 (0.49) SLC6A2SLC6A4SLC6A3F10F2
SCHEMBL6896148 0.75 SLC6A4 (0.69) SLC6A2SLC6A4SLC6A3F10OPRM1
SCHEMBL16521003 0.75 SLC6A4 (0.65) SLC6A2SLC6A4SLC6A3F10F2

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-7312214-B2 1, 1-disubstituted cycloalkyl derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-20040254158-A1 Anticoagulants; atherosclerosis; strokes; thrombosis; cardiovascular disorders BRISTOL-MYERS SQUIBB COMPANY 2004-12-16 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-20040254158-A1 Anticoagulants; atherosclerosis; strokes; thrombosis; cardiovascular disorders SERPINC1, PCSK9, PLAT SLC6A2 2844/4885SLC6A4 2705/4885SLC6A3 1899/4885

“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.