SCHEMBL3980389

SCHEMBL3980389

O=C(O)C(c1cccc(Cl)c1)C1(O)CCC1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 15/20 0.49
SLC6A4 P31645 11/20 0.49
SLC6A3 Q01959 12/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43

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
SCHEMBL3979375 0.97 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL3956463 0.95 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL3972796 0.95 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL3974416 0.95 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL3960765 0.87 MEN1 (0.41) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL5717891 0.85 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL3960469 0.85 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL13842135 0.82 LMNA (0.52) OPRM1OPRD1OPRK1OPRL1
SCHEMBL3961565 0.82 LMNA (0.39)
SCHEMBL3972404 0.82 SLC6A2 (0.44) SLC6A2OPRM1OPRD1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531543-B2 Phenylpiperazine cycloalkanol derivatives and methods of their use WYETH (US) 2009-05-12 US disclosed
EP-1673358-A1 PHENYLPIPERAZINE CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE Wyeth (US) 2006-06-28 EP disclosed
US-20050143394-A1 Phenylpiperazine cycloalkanol derivatives and methods of their use WYETH (US) 2005-06-30 US disclosed
WO-2005037808-A1 PHENYLPIPERAZINE CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2005-04-28 WO 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-20050143394-A1 Phenylpiperazine cycloalkanol derivatives and methods of their use HTR5A, PNMT, HTR3A SLC6A2 49/4885SLC6A4 56/4885SLC6A3 100/4885

“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.