SCHEMBL549025

SCHEMBL549025

O=C(c1cccs1)N(CCc1ccc(Br)cc1)C1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.45
CHRM3 P20309 1/20 0.45
CACNA2D1 P54289 1/20 0.43
OPRM1 P35372 2/20 0.43
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MBTPS1 Q14703 1/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
GFER P55789 1/20 0.40
UTS2R Q9UKP6 1/20 0.39
C5AR1 P21730 2/20 0.39
KCNH2 Q12809 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 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
SCHEMBL548295 0.78 SLC6A4 (0.52) CHRM2CHRM3OPRM1MBTPS1SLC6A4
SCHEMBL16826117 0.73 MBTPS1 (0.43) CHRM3OPRM1MBTPS1SLC6A4SLC6A2
SCHEMBL548188 0.71 DCUN1D1 (0.51) SLC6A4SLC6A2
SCHEMBL11311278 0.70 CACNA2D1 (0.50) CHRM2CHRM3CACNA2D1OPRM1OPRD1
SCHEMBL16825796 0.69 CHIA (0.53) SLC6A4SLC6A2SLC6A3
SCHEMBL14144500 0.67 SLC6A4 (0.53) OPRM1MBTPS1SLC6A4SLC6A2SLC6A3
SCHEMBL8291857 0.66 CTSD (0.50) MBTPS1SLC6A4KCNH2
SCHEMBL28311575 0.66 KMT2A (0.63) CHRM2CHRM3L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL6600053 0.65 NOS1 (0.56) CHRM2CHRM3KCNH2
SCHEMBL6600057 0.65 NOS1 (0.56) CHRM2CHRM3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110574-B2 Derivatives of 4-aminopiperidine and their use as a medicament IPSEN PHARMA S.A.S. (FR) 2012-02-07 US disclosed
US-8110574-B2 Derivatives of 4-aminopiperidine and their use as a medicament IPSEN PHARMA S.A.S. (FR) 2012-02-07 US disclosed
US-8110574-B2 Derivatives of 4-aminopiperidine and their use as a medicament IPSEN PHARMA S.A.S. (FR) 2012-02-07 US disclosed
US-20110059971-A1 DERIVATIVES OF 4-AMINOPIPERIDINE AND THEIR USE AS A MEDICAMENT IPSEN S.A.S. (FR) 2011-03-10 US disclosed
US-20110059971-A1 DERIVATIVES OF 4-AMINOPIPERIDINE AND THEIR USE AS A MEDICAMENT IPSEN S.A.S. (FR) 2011-03-10 US disclosed
US-20110059971-A1 DERIVATIVES OF 4-AMINOPIPERIDINE AND THEIR USE AS A MEDICAMENT IPSEN S.A.S. (FR) 2011-03-10 US disclosed
US-7858789-B2 Derivatives of 4-aminopiperidine and their use as a medicament IPSEN PHARMA S.A.S. (FR) 2010-12-28 US disclosed
US-7858789-B2 Derivatives of 4-aminopiperidine and their use as a medicament IPSEN PHARMA S.A.S. (FR) 2010-12-28 US disclosed
US-7858789-B2 Derivatives of 4-aminopiperidine and their use as a medicament IPSEN PHARMA S.A.S. (FR) 2010-12-28 US disclosed
US-20090149652-A1 Derivatives of 4-aminopiperidine and their use as a medicament SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES 2009-06-11 US disclosed
US-20090149652-A1 Derivatives of 4-aminopiperidine and their use as a medicament SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES 2009-06-11 US disclosed
US-20090149652-A1 Derivatives of 4-aminopiperidine and their use as a medicament SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES 2009-06-11 US disclosed
EP-1286966-B1 4-AMINOPIPERIDINE DERIVATIVES AND THEIR USE AS MEDICINE SOD CONSEILS RECH APPLIC (FR) 2008-07-16 EP disclosed
US-7393861-B2 Derivatives of 4-aminopiperidine and their use as a medicament SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2008-07-01 US disclosed
US-7393861-B2 Derivatives of 4-aminopiperidine and their use as a medicament SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2008-07-01 US disclosed
US-7115634-B2 4-aminopiperidine and their use as a medicine SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 2006-10-03 US disclosed
US-20040006089-A1 4-Aminopiperidine and their use as a medicine IPSEN PHARMA S.A.S. (FR) 2004-01-08 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 (3 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-20090149652-A1 Derivatives of 4-aminopiperidine and their use as a medicament SSTR4, SSTR3, SSTR1 CHRM2 57/4885CHRM3 142/4885CACNA2D1 1973/4885
US-20040006089-A1 4-Aminopiperidine and their use as a medicine SSTR1, SSTR2, SSTR4 CHRM2 89/4885CHRM3 211/4885CACNA2D1 2266/4885
US-20110059971-A1 DERIVATIVES OF 4-AMINOPIPERIDINE AND THEIR USE AS A MEDICAMENT SSTR4, SSTR3, SSTR1 CHRM2 57/4885CHRM3 142/4885CACNA2D1 1973/4885

“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.