SCHEMBL3980416

SCHEMBL3980416

O=C(O)C(c1cccc(F)c1)C1(O)CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.49
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
CHRM2 P08172 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
CHRM4 P08173 1/20 0.41
LMNA P02545 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
CNR2 P34972 1/20 0.39
CYP2C9 P11712 2/20 0.38
TSHR P16473 2/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL3972404 0.95 SLC6A2 (0.44) SLC6A2HDAC4HDAC7HDAC5CHRM2
SCHEMBL14489601 0.82 LMNA (0.55) SLC6A2HDAC4CHRM2CHRM1CHRM3
SCHEMBL13628924 0.82 LMNA (0.55) SLC6A2HDAC4CHRM2CHRM1CHRM3
SCHEMBL3972796 0.82 SLC6A2 (0.54) SLC6A2CHRM2CHRM1CHRM3CHRM4
SCHEMBL3953392 0.82 CHRM2 (0.41) SLC6A2CHRM2CHRM1CHRM3CHRM4
SCHEMBL3972425 0.82 CHRM2 (0.41) SLC6A2CHRM2CHRM1CHRM3CHRM4
SCHEMBL3974416 0.82 SLC6A2 (0.54) SLC6A2CHRM2CHRM1CHRM3CHRM4
SCHEMBL3973393 0.82 CHRM2 (0.41) SLC6A2CHRM2CHRM1CHRM3CHRM4
SCHEMBL3956463 0.82 SLC6A2 (0.54) SLC6A2CHRM2CHRM1CHRM3CHRM4
SCHEMBL27661848 0.82 SLC6A2 (0.47) SLC6A2LMNACES2CES1SMN1; SMN2

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-7531543-B2 Phenylpiperazine cycloalkanol derivatives and methods of their use WYETH (US) 2009-05-12 US disclosed
US-20050143394-A1 Phenylpiperazine cycloalkanol derivatives and methods of their use WYETH (US) 2005-06-30 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-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.