SCHEMBL3590485

SCHEMBL3590485

COc1ccc(S(=O)(=O)N2CCC(N(CCC(c3ccccc3)c3ccccc3)C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.55
HCRTR2 O43614 1/20 0.55
TSHR P16473 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 2/20 0.54
CYP1A2 P05177 1/20 0.54
POLB P06746 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
DCUN1D1 Q96GG9 12/20 0.54
UBE2M P61081 11/20 0.54
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 1/20 0.51
CASR P41180 1/20 0.49

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
SCHEMBL10108279 0.92 DCUN1D1 (0.56) ALDH1A1DCUN1D1UBE2MLMNAMAPT
SCHEMBL549026 0.81 DCUN1D1 (0.64) DCUN1D1UBE2MCASR
SCHEMBL5126613 0.81 DCUN1D1 (0.62) DCUN1D1UBE2MCASR
SCHEMBL4676983 0.80 CASR (0.63) POLBDCUN1D1UBE2MMAPTCASR
SCHEMBL549106 0.80 DCUN1D1 (0.60) DCUN1D1UBE2MCASR
SCHEMBL548245 0.80 DCUN1D1 (0.58) DCUN1D1UBE2MCASR
SCHEMBL548234 0.78 DCUN1D1 (0.72) POLBDCUN1D1UBE2MCASR
SCHEMBL548246 0.76 DCUN1D1 (0.55) DCUN1D1UBE2MCASR
SCHEMBL18640247 0.70 DCUN1D1 (1.00) DCUN1D1UBE2M
SCHEMBL18640257 0.70 DCUN1D1 (1.00) DCUN1D1UBE2M

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (2 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 HCRTR1 312/4885HCRTR2 354/4885TSHR 52/4885
US-20040006089-A1 4-Aminopiperidine and their use as a medicine SSTR1, SSTR2, SSTR4 HCRTR1 340/4885HCRTR2 324/4885TSHR 73/4885

“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.