SCHEMBL6011706

SCHEMBL6011706

CN(C)c1cccc(CCS)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ NOS1 P29475 3/20 0.45
▸ CNR1 P21554 1/20 0.43
▸ TAAR1 Q96RJ0 4/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ APP P05067 1/20 0.39
▸ HTR7 P34969 2/20 0.39
▸ FYN P06241 1/20 0.38
▸ AOC3 Q16853 1/20 0.37

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
SCHEMBL11404905 0.89 KMT2A (0.43) ALDH1A1TSHRNOS1CNR1TAAR1
SCHEMBL7523316 0.83 ALDH1A1 (0.48) ALDH1A1TSHRNOS1CNR1HDAC1
SCHEMBL169805 0.82 ALDH1A1 (0.47) ALDH1A1TSHRNOS1CNR1TAAR1
SCHEMBL6827042 0.80 TAAR1 (0.57) ALDH1A1TSHRNOS1CNR1TAAR1
SCHEMBL834162 0.80 ALDH1A1 (0.50) ALDH1A1TSHRNOS1CNR1TAAR1
SCHEMBL6750529 0.80 CALM1 (0.53) ALDH1A1TSHRNOS1CNR1HDAC1
SCHEMBL6011704 0.80 ALDH1A1 (0.45) ALDH1A1TSHRNOS1CNR1TAAR1
SCHEMBL31318817 0.80 TAAR1 (0.57) ALDH1A1TSHRNOS1CNR1TAAR1
SCHEMBL5536959 0.80 ALDH1A1 (0.45) ALDH1A1TSHRNOS1CNR1TAAR1
SCHEMBL11861528 0.79 HDAC1 (0.60) ALDH1A1TSHRNOS1CNR1HDAC1

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 ALDH1A1 186/4885TSHR 2113/4885NOS1 530/4885
US-20060270649-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM AZI2, QDPR, ADRA2A ALDH1A1 303/4885TSHR 2320/4885NOS1 776/4885
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them CYP11B2, AZI2, CYP2C19 ALDH1A1 639/4885TSHR 1891/4885NOS1 947/4885
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them ADRA1D, ADRB2, AZI2 ALDH1A1 32/4885TSHR 3044/4885NOS1 277/4885

“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.

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