SCHEMBL516113

SCHEMBL516113

NC(=O)C1(c2ccccc2)CCC1CO

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 14/20 0.43
SLC6A4 P31645 12/20 0.43
SLC6A3 Q01959 6/20 0.43
CYP2D6 P10635 1/20 0.43
HTR2C P28335 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
MAOB P27338 1/20 0.40

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
SCHEMBL2475580 0.83 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL4560520 0.82 SLC6A4 (0.42) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL3422142 0.73 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL12459423 0.73 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL5508064 0.73 SLC22A1 (0.41) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL4558511 0.73 MEN1 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL13835677 0.73 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL6023093 0.73 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL3745740 0.73 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL2722771 0.72 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C

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
US-8455550-B2 Derivatives of aminocyclobutane or aminocyclobutene, their method of preparation and their use as medical products PIERRE FABRE MEDICAMENT (FR) 2013-06-04 US disclosed
EP-2414323-B1 DERIVATIVES OF AMINOCYCLOBUTANE OR AMINOCYCLOBUTENE, THEIR METHOD OF PREPARATION AND THEIR USE AS MEDICAL PRODUCTS PF MEDICAMENT (FR) 2013-03-13 EP disclosed
US-20120029013-A1 DERIVATIVES OF AMINOCYCLOBUTANE OR AMINOCYCLOBUTENE, THEIR METHOD OF PREPARATION AND THEIR USE AS MEDICAL PRODUCTS PIERRE FABRE MEDICAMENT (FR) 2012-02-02 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-20120029013-A1 DERIVATIVES OF AMINOCYCLOBUTANE OR AMINOCYCLOBUTENE, THEIR METHOD OF PREPARATION AND THEIR USE AS MEDICAL PRODUCTS CYP11B2, BCAT1, CYP11B1 SLC6A2 3043/4885SLC6A4 3870/4885SLC6A3 3373/4885

“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.