SCHEMBL3972404

SCHEMBL3972404

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.44
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
CNR2 P34972 1/20 0.40
LMNA P02545 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
CYP2C9 P11712 3/20 0.39
USP2 O75604 3/20 0.39
TSHR P16473 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 2/20 0.39

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
SCHEMBL3980416 0.95 SLC6A2 (0.49) SLC6A2HDAC4HDAC7HDAC5CES2
SCHEMBL13842135 0.82 LMNA (0.52) OPRM1OPRD1OPRK1OPRL1LMNA
SCHEMBL3980389 0.82 SLC6A2 (0.49) SLC6A2OPRM1OPRD1OPRK1OPRL1
SCHEMBL3961565 0.82 LMNA (0.39) LMNACHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL27661850 0.82 SLC6A2 (0.43) SLC6A2CES2CES1OPRM1OPRD1
SCHEMBL3980878 0.81 SLC6A2 (0.52) SLC6A2CES2OPRM1OPRD1OPRK1
SCHEMBL3980663 0.81 SLC6A2 (0.40) SLC6A2HDAC4HDAC7HDAC5OPRM1
SCHEMBL3979375 0.79 SLC6A2 (0.52) SLC6A2OPRM1OPRD1OPRK1OPRL1
SCHEMBL3974572 0.79 LMNA (0.42) LMNACHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL29845505 0.79 LMNA (0.56) 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 49/4885HDAC4 3201/4885HDAC7 2635/4885

“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.