SCHEMBL6011460

SCHEMBL6011460

N#Cc1cccc(CCSCCc2cccc(C#N)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 1/20 0.50
▸ HRH3 Q9Y5N1 1/20 0.49
▸ GLA P06280 1/20 0.47
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CYP19A1 P11511 1/20 0.45
▸ CYP11B1 P15538 1/20 0.45
▸ CYP11B2 P19099 1/20 0.45
▸ NOS1 P29475 1/20 0.45
▸ MAOA P21397 2/20 0.44
▸ MAOB P27338 2/20 0.44
▸ KDM1A O60341 1/20 0.44
▸ CNR1 P21554 1/20 0.43
▸ KCNJ1 P48048 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ DAO P14920 1/20 0.43
▸ FFAR1 O14842 1/20 0.43
▸ FFAR4 Q5NUL3 1/20 0.43
▸ MRGPRX4 Q96LA9 1/20 0.43
▸ MEP1A Q16819 1/20 0.43

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
SCHEMBL2154019 0.87 GLA (0.53) HRH3GLAMEN1KMT2ACYP19A1
SCHEMBL28865565 0.83 HTR2B (0.50) HRH3GLAMEN1KMT2ACYP19A1
SCHEMBL28248372 0.83 HTR2B (0.54) HRH3GLAMEN1KMT2ACYP19A1
SCHEMBL24358855 0.82 HTR2B (0.49) HRH3GLAMEN1KMT2ACYP19A1
SCHEMBL6950852 0.82 TSHR (0.52) HRH3GLAMEN1KMT2ACYP19A1
SCHEMBL29732423 0.82 HTR2B (0.49) HRH3GLAMEN1KMT2ACYP19A1
SCHEMBL28448952 0.82 DAO (0.51) HRH3GLAMEN1KMT2ACYP19A1
SCHEMBL2058688 0.80 GLA (0.47) HRH3GLAMEN1KMT2ACYP19A1
SCHEMBL2004401 0.80 ADRA2C (0.54) HRH3GLAMEN1KMT2ACYP19A1
SCHEMBL7634582 0.80 GLA (0.47) HRH3GLAMEN1KMT2ACYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060270649-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2006-11-30 — — US disclosed
US-6858603-B2 Acetindine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2005-02-22 — — US disclosed
US-20040235816-A1 Azetidine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2004-11-25 — — US disclosed
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2003-08-28 — — US disclosed
US-6518264-B2 For treatment/prevention of psychoses, other brain disorders, and cardiovascular disorders AVENTIS PHARMA S.A. (FR) 2003-02-11 — — US disclosed
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2002-03-21 — — 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 (4 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-20040235816-A1 Azetidine derivatives, their preparation and medicaments containing them AZI2, ADRA2A, ADRA2C GLS 2489/4885HRH3 1612/4885GLA 837/4885
US-20060270649-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM AZI2, QDPR, ADRA2A GLS 2276/4885HRH3 1453/4885GLA 600/4885
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them CYP11B2, AZI2, CYP2C19 GLS 2105/4885HRH3 295/4885GLA 2795/4885
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them ADRA1D, ADRB2, AZI2 GLS 1114/4885HRH3 1387/4885GLA 1061/4885

“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.

Send feedback