SCHEMBL5875699

SCHEMBL5875699

N[C@H](Cc1nc2ccccc2[nH]1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 6/20 0.59
CHRM1 P11229 1/20 0.57
KDM4E B2RXH2 3/20 0.53
RAB9A P51151 3/20 0.53
GAA P10253 1/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
HSD17B10 Q99714 1/20 0.50
DDAH1 O94760 1/20 0.50
POLB P06746 1/20 0.50
NPC1 O15118 1/20 0.50

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
SCHEMBL5280678 1.00 PIN1 (0.59) PIN1CHRM1KDM4ERAB9AGAA
SCHEMBL30042883 1.00 PIN1 (0.59) PIN1CHRM1KDM4ERAB9AGAA
SCHEMBL7267155 1.00 PIN1 (0.59) PIN1CHRM1KDM4ERAB9AGAA
SCHEMBL7211356 0.85 CHRM1 (0.62) PIN1CHRM1KDM4ERAB9AGAA
SCHEMBL5325374 0.85 CHRM1 (0.62) PIN1CHRM1KDM4ERAB9AGAA
SCHEMBL11100952 0.84 KDM4E (0.59) PIN1KDM4ERAB9ACYP1A2ALDH1A1
SCHEMBL6530115 0.83 MAPT (0.59) PIN1CHRM1KDM4ERAB9AALDH1A1
SCHEMBL38661628 0.82 PIN1 (0.62) PIN1CHRM1KDM4ERAB9AGAA
SCHEMBL15156683 0.82 PIN1 (0.62) PIN1CHRM1KDM4ERAB9AGAA
SCHEMBL17771956 0.81 KDM4E (0.51) PIN1KDM4EGAACYP2C9ALDH1A1

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-2382206-B1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN AND OTHER DISEASES AQUILUS PHARMACEUTICALS INC (US) 2016-03-23 EP disclosed
US-8765953-B2 Compounds and methods for the treatment of pain and other diseases AQUILUS PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-8765953-B2 Compounds and methods for the treatment of pain and other diseases AQUILUS PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-20110257222-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN AND OTHER DISEASES AQUILUS PHARMACEUTICALS, INC. (US) 2011-10-20 US disclosed
US-20110257222-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN AND OTHER DISEASES AQUILUS PHARMACEUTICALS, INC. (US) 2011-10-20 US disclosed
US-20060155107-A1 SSTR1-selective analogs THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2006-07-13 US disclosed
US-7019109-B2 Cyclic somatostatin for use in the treatment and prevention of tumor propagation THE SALK INSTITUTE FOR BILOGICAL STUDIES (US) 2006-03-28 US disclosed
US-20020173618-A1 SSTR1-selective analogs SALK INSTITUTE OF BIOLOGICAL STUDIES, THE 2002-11-21 US disclosed
EP-0871666-A1 RECEPTOR-SELECTIVE SOMATOSTATIN ANALOGS THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1998-10-21 EP disclosed
US-5750499-A ANTITUMOR THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1998-05-12 US disclosed
WO-1997014715-A1 RECEPTOR-SELECTIVE SOMATOSTATIN ANALOGS THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1997-04-24 WO disclosed
US-4740500-A OLIGOPEPTIDES, PROTECTED, ON RESIN SUPPORT THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1988-04-26 US disclosed
EP-0042753-B1 NONAPEPTIDE AND DECAPEPTIDE AGONISTS OF LUTEINIZING HORMONE RELEASING HORMONE CONTAINING HETEROCYCLIC AMINO ACID RESIDUES, METHODS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOUNDS CONTAINING THEM, AND THEIR PHARMACEUTICAL USE SYNTEX (U.S.A.) INC. (US) 1984-03-21 EP disclosed
US-4318905-A Nonapeptide and decapeptide agonists of luteinizing hormone releasing hormone containing heterocyclic amino acid residues SYNTEX (U.S.A.) INC. (US) 1982-03-09 US disclosed
EP-0042753-A1 Nonapeptide and decapeptide agonists of luteinizing hormone releasing hormone containing heterocyclic amino acid residues, methods for their preparation, pharmaceutical compounds containing them, and their pharmaceutical use SYNTEX (U.S.A.) INC. (US) 1981-12-30 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 (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-20110257222-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN AND OTHER DISEASES MMP3, MMP9, MMP10 PIN1 225/4885CHRM1 4058/4885KDM4E 1170/4885

“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.