SCHEMBL6651402

SCHEMBL6651402

COc1cc(Cl)ccc1OCCCCN1CCC(=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ACHE P22303 3/20 0.48
KDM4E B2RXH2 6/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 2/20 0.46
THRB P10828 1/20 0.46
HRH1 P35367 1/20 0.46
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL4096057 0.82 EGFR (0.53) LMNASMN1; SMN2KDM4EKMT2ANPC1
SCHEMBL6652980 0.80 KDM4E (0.53) LMNASMN1; SMN2KDM4EKMT2AALDH1A1
Hydrochloric Acid SCHEMBL6729089 0.79 KDM4E (0.52) LMNASMN1; SMN2KDM4EKMT2AALDH1A1
SCHEMBL9428210 0.76 ADRA1B (0.47) LMNAKDM4EKMT2AALDH1A1MEN1
SCHEMBL8573934 0.75 HTR2A (0.41) KDM4EKMT2ANPC1RAB9A
SCHEMBL9195296 0.74 DRD2 (0.56) SMN1; SMN2KDM4EALDH1A1NPSR1TDP1
SCHEMBL6655573 0.74 KMT2A (0.60) LMNAKDM4EKMT2AALDH1A1MEN1
SCHEMBL4086718 0.73 MAPT (0.51) SMN1; SMN2KMT2ANPC1RAB9AALDH1A1
SCHEMBL6648626 0.72 PRSS1 (0.49) SMN1; SMN2KMT2ANPC1RAB9AALDH1A1
SCHEMBL24163824 0.72 KDM4E (0.69) LMNASMN1; SMN2KDM4EKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1143971-B1 SUBSTITUTED 1-(PIPERIDIN-4-YL)-3-(ARYL)-ISOTHIOUREAS, THEIR PREPARATION AND THERAPEUTIC USE PF MEDICAMENT (FR) 2004-06-02 EP disclosed
US-20040014785-A1 Substituted 1-(piperidin-4-YL)-3-(aryl)-isothioureas, their preparation and therapeutic use PIERRE FABRE MEDICAMENT (FR) 2004-01-22 US disclosed
US-6583159-B1 Myocardial ischemia; cytoprotective properties PIERRE FABRE MEDICAMENT (FR) 2003-06-24 US disclosed
EP-1143971-A1 SUBSTITUTED 1-(PIPERIDIN-4-YL)-3-(ARYL)-ISOTHIOUREAS, THEIR PREPARATION AND THERAPEUTIC USE PIERRE FABRE MEDICAMENT (FR) 2001-10-17 EP disclosed
WO-2000043011-A1 SUBSTITUTED 1-(PIPERIDIN-4-YL)-3-(ARYL)-ISOTHIOUREAS, THEIR PREPARATION AND THERAPEUTIC USE PIERRE FABRE MEDICAMENT (FR) 2000-07-27 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-20040014785-A1 Substituted 1-(piperidin-4-YL)-3-(aryl)-isothioureas, their preparation and therapeutic use AQP1, SLCO2A1, SLCO2B1 LMNA 3830/4885SMN1; SMN2 1399/4885ACHE 3084/4885

“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.