SCHEMBL7593196

SCHEMBL7593196

CN1CCCCC1C(C(=O)O)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 3/20 0.55
KDM4E B2RXH2 1/20 0.51
SLC6A9 P48067 2/20 0.49

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
SCHEMBL3644854 0.89 CHRM3 (0.51) CHRM3SLC6A9
SCHEMBL8202170 0.87
SCHEMBL21033594 0.87
SCHEMBL6819282 0.82 CHRNB4 (0.50) CHRM3SLC6A9
SCHEMBL1797593 0.82 CHRNB4 (0.50) CHRM3SLC6A9
SCHEMBL1797592 0.82 CHRNB4 (0.50) CHRM3SLC6A9
SCHEMBL20412693 0.81 CHRM3 (0.71) CHRM3
SCHEMBL13403259 0.81 CHRNB4 (0.49) CHRM3SLC6A9
SCHEMBL14470862 0.81 KDM4E (0.48) CHRM3KDM4E
SCHEMBL220309 0.80 KDM4E (0.45) CHRM3KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0881216-B1 Transdermal patch comprising solid methylphenidate JOHNSON MATTHEY PLC (GB) 2002-11-06 EP claimed
US-8283472-B2 Synthesis of methylphenidate and analogs thereof MALLINCKRODT LLC (US) 2012-10-09 US disclosed
US-20100179327-A1 Synthesis of Methylphenidate and Analogs Thereof MALLINCKRODT INC. (US) 2010-07-15 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-20100179327-A1 Synthesis of Methylphenidate and Analogs Thereof COMT, PNMT, BCAT2 CHRM3 410/4885KDM4E 173/4885SLC6A9 669/4885

“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.