SCHEMBL4843552

SCHEMBL4843552

O=C(N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(Oc2ccccc2)cc1)[C@@H]1CSCN1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.63
METAP2 P50579 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
BACE1 P56817 1/20 0.38
KCNT1 Q5JUK3 1/20 0.38
P2RX7 Q99572 1/20 0.38
CTSS P25774 2/20 0.37
CPB2 Q96IY4 1/20 0.37
MMP1 P03956 2/20 0.37
FCER2 P06734 2/20 0.37
BCL2 P10415 1/20 0.37
KLKB1 P03952 1/20 0.37
MASP2 O00187 1/20 0.36
F2 P00734 1/20 0.36
CTSL P07711 1/20 0.36

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 SCHEMBL4841861 0.99 CACNA1B (0.63) CACNA1BMETAP2HRH3HTR2CHTR2B
SCHEMBL5351096 0.93 CACNA1B (0.63) CACNA1BMETAP2HRH3HTR2CHTR2B
SCHEMBL14591607 0.93 CACNA1B (0.61) CACNA1BMETAP2HRH3HTR2CHTR2B
SCHEMBL5349879 0.91 CACNA1B (0.54) CACNA1BMETAP2HTR2CHTR2BBACE1
SCHEMBL5355003 0.91 CACNA1B (0.54) CACNA1BMETAP2HTR2CHTR2BBACE1
Hydrochloric Acid SCHEMBL5351924 0.91 CACNA1B (0.53) CACNA1BMETAP2HTR2CHTR2BBACE1
SCHEMBL5344806 0.90 CACNA1B (0.54) CACNA1BCTSSCPB2MMP1CTSL
SCHEMBL4845524 0.90 CACNA1B (0.54) CACNA1BCTSSCPB2MMP1CTSL
Hydrochloric Acid SCHEMBL5363336 0.89 CACNA1B (0.53) CACNA1BCTSSCPB2MMP1CTSL
Hydrochloric Acid SCHEMBL5343343 0.89 CACNA1B (0.53) CACNA1BCTSSCPB2MMP1CTSL

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 15 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-7427634-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-09-23 US disclosed
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
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 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 2/4885METAP2 644/4885HRH3 1526/4885
US-20030013725-A1 Amino acid derivatives CACNA1B, SCN1A, SCN2A CACNA1B 1/4885METAP2 3239/4885HRH3 741/4885

“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.