SCHEMBL5646483

SCHEMBL5646483

CN(C)CCC1(c2ccc(N)cc2)CCC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.42
SLC6A3 Q01959 13/20 0.42
SLC6A2 P23975 9/20 0.42
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.37
EPHX2 P34913 1/20 0.37
PHLPP2 Q6ZVD8 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
SCHEMBL5645141 0.97 SLC6A3 (0.46) SLC6A4SLC6A3SLC6A2ALDH1A1L3MBTL1
SCHEMBL5642584 0.93 ALDH1A1 (0.38) SLC6A4SLC6A3SLC6A2ALDH1A1L3MBTL1
SCHEMBL8354603 0.84 SLC6A4 (0.44) SLC6A4SLC6A3SLC6A2EPHX2
SCHEMBL11111686 0.83 SLC6A4 (0.42) SLC6A4SLC6A3SLC6A2EPHX2
Hydrochloric Acid SCHEMBL11105518 0.81 SLC6A4 (0.61) SLC6A4SLC6A3SLC6A2ALDH1A1EPHX2
Hydrochloric Acid SCHEMBL6477899 0.81 SLC6A4 (0.41) SLC6A4SLC6A3SLC6A2EPHX2
SCHEMBL14347875 0.81 SLC6A4 (0.47) SLC6A4SLC6A3SLC6A2EPHX2
SCHEMBL9116950 0.80 SLC6A4 (0.53) SLC6A4SLC6A3SLC6A2EPHX2
SCHEMBL5646478 0.80 EPHX2 (0.41) SLC6A4SLC6A3SLC6A2POLBEPHX2
SCHEMBL14059737 0.79 CYP19A1 (0.39) SLC6A4SLC6A3SLC6A2ALDH1A1L3MBTL1

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 SLC6A4 2705/4885SLC6A3 1899/4885SLC6A2 2844/4885

“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.