SCHEMBL3301180

SCHEMBL3301180

COc1ccc(NC2CCN(CC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
GAA P10253 2/20 0.68
ALDH1A1 P00352 10/20 0.65
MAPT P10636 3/20 0.65
KCNA5 P22460 1/20 0.65
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
GLA P06280 1/20 0.63
HPGD P15428 1/20 0.61
KDM4E B2RXH2 3/20 0.61
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
HTT P42858 1/20 0.60
POLB P06746 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
TSHR P16473 1/20 0.58

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
SCHEMBL3302462 0.93 LMNA (0.70) LMNASMN1; SMN2GAAALDH1A1MAPT
SCHEMBL5661423 0.91 LMNA (0.64) LMNASMN1; SMN2GAAALDH1A1MAPT
SCHEMBL5314942 0.89 LTA4H (0.73) LMNASMN1; SMN2GAAALDH1A1MAPT
SCHEMBL5659325 0.86 LMNA (0.70) LMNASMN1; SMN2GAAALDH1A1MAPT
SCHEMBL5313298 0.84 ALDH1A1 (0.58) LMNASMN1; SMN2GAAALDH1A1MAPT
SCHEMBL1181487 0.83 SMN1; SMN2 (0.54) LMNASMN1; SMN2GAAALDH1A1MAPT
SCHEMBL5660490 0.83 ALDH1A1 (0.73) LMNASMN1; SMN2GAAALDH1A1MAPT
SCHEMBL28604386 0.83 KCNA5 (0.60) SMN1; SMN2ALDH1A1KCNA5MEN1KMT2A
SCHEMBL3301598 0.82 ALDH1A1 (0.59) LMNASMN1; SMN2GAAALDH1A1MAPT
SCHEMBL1181333 0.82 ALDH1A1 (0.59) LMNASMN1; SMN2GAAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099703-A1 PHENYLAMINO-SUBSTITUTED PIPERIDINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2010-04-22 US claimed
EP-2099752-A1 PHENYLAMINO-SUBSTITUTED PIPERIDINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS Laboratorios del Dr. Esteve S.A. (ES) 2009-09-16 EP claimed
WO-2008052769-A1 PHENYLAMINO-SUBSTITUTED PIPERIDINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2008-05-08 WO claimed
EP-1918281-A1 Phenylamino-substituted piperidine compounds, their preparation and use as medicaments Laboratorios del Dr. Esteve S.A. (ES) 2008-05-07 EP claimed
US-20100099703-A1 PHENYLAMINO-SUBSTITUTED PIPERIDINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2010-04-22 US disclosed
US-20100099703-A1 PHENYLAMINO-SUBSTITUTED PIPERIDINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2010-04-22 US disclosed
US-20100099703-A1 PHENYLAMINO-SUBSTITUTED PIPERIDINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2010-04-22 US disclosed
EP-2099752-A1 PHENYLAMINO-SUBSTITUTED PIPERIDINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS Laboratorios del Dr. Esteve S.A. (ES) 2009-09-16 EP disclosed
WO-2008052769-A1 PHENYLAMINO-SUBSTITUTED PIPERIDINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2008-05-08 WO disclosed
WO-2008052769-A1 PHENYLAMINO-SUBSTITUTED PIPERIDINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2008-05-08 WO disclosed
EP-1918281-A1 Phenylamino-substituted piperidine compounds, their preparation and use as medicaments Laboratorios del Dr. Esteve S.A. (ES) 2008-05-07 EP 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-20100099703-A1 PHENYLAMINO-SUBSTITUTED PIPERIDINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS PIGO, PNMT, CAT LMNA 475/4885SMN1; SMN2 2771/4885GAA 237/4885

“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.