SCHEMBL744894

SCHEMBL744894

NC1(C(=O)O)CCCCCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.48
GRM4 Q14833 8/20 0.44
CYP2C19 P33261 5/20 0.44
CYP1A2 P05177 4/20 0.44
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
GRM8 O00222 2/20 0.44
GRM6 O15303 2/20 0.44
ALOX15 P16050 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 3/20 0.43
GRM2 Q14416 2/20 0.43
GRM3 Q14832 2/20 0.43
LMNA P02545 2/20 0.43
GRM5 P41594 1/20 0.43
MTOR P42345 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
Cycloleucine SCHEMBL1704308 1.00 NSD2 (0.48) NSD2GRM4CYP2C19CYP1A2ALDH1A1
SCHEMBL15095885 1.00 NSD2 (0.48) NSD2GRM4CYP2C19CYP1A2ALDH1A1
SCHEMBL59793 1.00 NSD2 (0.48) NSD2GRM4CYP2C19CYP1A2ALDH1A1
SCHEMBL8981098 1.00 NSD2 (0.48) NSD2GRM4CYP2C19CYP1A2ALDH1A1
SCHEMBL21423145 1.00 NSD2 (0.48) NSD2GRM4CYP2C19CYP1A2ALDH1A1
SCHEMBL60473 1.00 NSD2 (0.48) NSD2GRM4CYP2C19CYP1A2ALDH1A1
SCHEMBL62221 1.00 NSD2 (0.48) NSD2GRM4CYP2C19CYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL1321302 0.97 NSD2 (0.46) NSD2GRM4CYP2C19CYP1A2ALDH1A1
Methane SCHEMBL11142076 0.97 NSD2 (0.46) NSD2GRM4CYP2C19CYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL21497076 0.97 NSD2 (0.46) NSD2GRM4CYP2C19CYP1A2ALDH1A1

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 143 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US claimed
US-20200360483-A1 METHOD FOR INHIBITING INFLAMMATION and PRO-INFLAMMATORY CYTOKINE/CHEMOKINE EXPRESSION USING A GHRELIN ANALOGUE IPSEN PHARMA S.A.S. (FR) 2020-11-19 US disclosed
US-20200347110-A1 Composition and Methods for Stimulating Gastrointestinal Motility IPSEN PHARMA S.A.S. (FR) 2020-11-05 US disclosed
EP-3481828-B1 SPIRO-FUSED CYCLIC UREAS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2020-09-16 EP disclosed
US-20190248861-A1 Composition and Methods for Stimulating Gastrointestinal Motility IPSEN PHARMA S.A.S. (FR) 2019-08-15 US disclosed
EP-1937262-B1 COMPOSITION FOR USE IN TREATING GASTROINTESTINAL DYSMOTILITY IPSEN PHARMA (FR) 2019-05-08 EP disclosed
CN-105381453-B Composition and method for stimulating gastrointestinal motility 益普生制药股份有限公司 2018-11-13 CN disclosed
US-20170304403-A1 METHOD FOR INHIBITING INFLAMMATION and PRO-INFLAMMATORY CYTOKINE/CHEMOKINE EXPRESSION USING A GHRELIN ANALOGUE IPSEN PHARMA S.A.S. (FR) 2017-10-26 US disclosed
US-20170037104-A1 Composition and Methods for Stimulating Gastrointestinal Motility IPSEN PHARMA S.A.S. (FR) 2017-02-09 US disclosed
US-9499599-B2 Composition and methods for stimulating gastrointestinal motility IPSEN PHARMA S.A.S. (FR) 2016-11-22 US disclosed
WO-2000034332-A1 GLP-1 ANALOGUES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES SAS (FR) 2000-06-15 WO disclosed
WO-2000005260-A1 PEPTIDE ANALOGUES OF PACAP SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES SAS (FR) 2000-02-03 WO disclosed
WO-1999057139-A2 PTH2 RECEPTOR SELECTIVE COMPOUNDS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES SAS (FR) 1999-11-11 WO disclosed
EP-0948541-A2 ANALOGS OF PARATHYROID HORMONE Biomeasure Incorporated (US) 1999-10-13 EP disclosed
US-5955574-A POLYPEPTIDES FROM AMINO ACIDS AND PRODUCED BY PARATHYROID GLANDS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A. (FR) 1999-09-21 US disclosed
WO-1998030590-A9 ANALOGS OF PARATHYROID HORMONE BIOMEASURE INC (US) 1999-08-19 WO disclosed
WO-1998030590-A2 ANALOGS OF PARATHYROID HORMONE BIOMEASURE INCORPORATED (US) 1998-07-16 WO disclosed
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US disclosed
US-5543414-A VIRICIDES SYNTEX (USA) INC. (US) 1996-08-06 US disclosed
WO-1996012499-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-05-02 WO 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 (5 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-20170304403-A1 METHOD FOR INHIBITING INFLAMMATION and PRO-INFLAMMATORY CYTOKINE/CHEMOKINE EXPRESSION USING A GHRELIN ANALOGUE PROKR1, CCL2, PROKR2 NSD2 4201/4885GRM4 341/4885CYP2C19 3695/4885
US-20170037104-A1 Composition and Methods for Stimulating Gastrointestinal Motility GIPR, VIP, GRPR NSD2 4546/4885GRM4 524/4885CYP2C19 2816/4885
US-20200360483-A1 METHOD FOR INHIBITING INFLAMMATION and PRO-INFLAMMATORY CYTOKINE/CHEMOKINE EXPRESSION USING A GHRELIN ANALOGUE PROKR1, CCL2, PROKR2 NSD2 4201/4885GRM4 341/4885CYP2C19 3695/4885
US-20190248861-A1 Composition and Methods for Stimulating Gastrointestinal Motility GIPR, VIP, GRPR NSD2 4546/4885GRM4 524/4885CYP2C19 2816/4885
US-20200347110-A1 Composition and Methods for Stimulating Gastrointestinal Motility GIPR, VIP, GRPR NSD2 4546/4885GRM4 524/4885CYP2C19 2816/4885

“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.