SCHEMBL3973393

SCHEMBL3973393

O=C(O)C(c1cccc(Br)c1)C1(O)CCCCCCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FAAH O00519 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 3/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36

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
SCHEMBL3953392 1.00 CHRM2 (0.41) CHRM2CHRM1CHRM3CHRM4LMNA
SCHEMBL3972425 1.00 CHRM2 (0.41) CHRM2CHRM1CHRM3CHRM4LMNA
SCHEMBL3974572 0.98 LMNA (0.42) CHRM2CHRM1CHRM3CHRM4LMNA
SCHEMBL3961565 0.95 LMNA (0.39) CHRM2CHRM1CHRM3CHRM4LMNA
SCHEMBL3960337 0.86 CNR2 (0.36) ALDH1A1GAA
SCHEMBL3950290 0.83 SLC6A9 (0.39) ALDH1A1GAASLC6A2SLC6A4CHRNA1
SCHEMBL10616114 0.83 LMNA (0.43) CHRM2CHRM1CHRM3CHRM4LMNA
SCHEMBL14489601 0.82 LMNA (0.55) CHRM2CHRM1CHRM3CHRM4LMNA
SCHEMBL13628924 0.82 LMNA (0.55) CHRM2CHRM1CHRM3CHRM4LMNA
SCHEMBL3980416 0.82 SLC6A2 (0.49) CHRM2CHRM1CHRM3CHRM4LMNA

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 CHRM2 550/4885CHRM1 941/4885CHRM3 275/4885

“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.