SCHEMBL4843557

SCHEMBL4843557

O=C(N[C@H](CCC1CCCCC1)C(=S)NCc1ccc(Oc2ccccc2)cc1)[C@@H]1CSCN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.43
HRH3 Q9Y5N1 2/20 0.41
HTR2C P28335 3/20 0.41
HTR2B P41595 2/20 0.41
P2RX7 Q99572 2/20 0.39
ALDH1A1 P00352 2/20 0.38
ALOX12 P18054 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BCL2 P10415 1/20 0.38
MAPK14 Q16539 3/20 0.37
DDR1 Q08345 1/20 0.37
DDR2 Q16832 1/20 0.37
BACE1 P56817 1/20 0.36
MAPK11 Q15759 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SRC P12931 1/20 0.36
NPY5R Q15761 1/20 0.35

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
Hydrochloric Acid SCHEMBL4841873 0.99 CACNA1B (0.43) CACNA1BHRH3HTR2CHTR2BP2RX7
SCHEMBL5351100 0.93 CACNA1B (0.43) CACNA1BHRH3HTR2CHTR2BP2RX7
SCHEMBL5349886 0.91 HTR2C (0.51) CACNA1BHTR2CHTR2BBACE1RAB9A
Hydrochloric Acid SCHEMBL5351930 0.90 HTR2C (0.51) CACNA1BHTR2CHTR2BBACE1RAB9A
SCHEMBL5355008 0.90 CACNA1B (0.38) CACNA1BHTR2CHTR2BMAPK14DDR1
SCHEMBL4845539 0.90 ALDH1A1 (0.46) HTR2CALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL5344813 0.90 ALDH1A1 (0.46) HTR2CALDH1A1MAPTSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL5343346 0.89 ALDH1A1 (0.45) HTR2CALDH1A1MAPTSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL5363345 0.89 ALDH1A1 (0.45) HTR2CALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL5352279 0.85 MAPK14 (0.35) HTR2CHTR2BMAPTMAPK14DDR1

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
EP-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 EP claimed
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 US claimed
EP-0997147-A1 AMINO ACID DERIVATIVES Ono Pharmaceutical Co., Ltd. (JP) 2000-05-03 EP claimed
US-7427634-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-09-23 US disclosed
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 US disclosed
EP-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 EP disclosed
US-6903119-B1 Amino acid derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-07 US disclosed
US-20050009890-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. 2005-01-13 US disclosed
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 US disclosed
EP-1097929-A1 AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-05-09 EP disclosed
EP-0997147-A1 AMINO ACID DERIVATIVES Ono Pharmaceutical Co., Ltd. (JP) 2000-05-03 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 (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-20050009890-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them CACNA1I, CACNA1B, CACNA1A CACNA1B 2/4885HRH3 1526/4885HTR2C 2559/4885
US-20030013725-A1 Amino acid derivatives CACNA1B, SCN1A, SCN2A CACNA1B 1/4885HRH3 741/4885HTR2C 1007/4885

“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.