SCHEMBL1628829

SCHEMBL1628829

NCC(=O)NC1Cc2ccccc2C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.63
GRM7 Q14831 4/20 0.59
MTNR1A P48039 5/20 0.55
MTNR1B P49286 5/20 0.55
HRH3 Q9Y5N1 1/20 0.48
IDO1 P14902 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 1/20 0.45
CHRNA7 P36544 1/20 0.45
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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 SCHEMBL15483948 0.98 MAPT (0.61) MAPTGRM7MTNR1AMTNR1BHRH3
SCHEMBL10421952 0.87 MAPT (0.71) MAPTGRM7MTNR1AMTNR1BHRH3
SCHEMBL27731471 0.81 MAPT (0.63) MAPTGRM7MTNR1AMTNR1BHRH3
SCHEMBL4865313 0.81 MTNR1A (0.79) MAPTGRM7MTNR1AMTNR1BHRH3
SCHEMBL6359193 0.81 MTNR1A (0.79) MAPTGRM7MTNR1AMTNR1BHRH3
Hydrochloric Acid SCHEMBL11568569 0.80 MAPT (0.61) MAPTGRM7MTNR1AMTNR1BHRH3
SCHEMBL10804933 0.79 MAPT (0.69) MAPTGRM7MTNR1AMTNR1BHRH3
SCHEMBL4858101 0.79 MAPT (0.69) MAPTGRM7MTNR1AMTNR1BHRH3
SCHEMBL1584190 0.79 MAPT (0.54) MAPTGRM7MTNR1AMTNR1BHRH3
SCHEMBL22787538 0.77 MAPT (0.58) MAPTGRM7MTNR1AMTNR1BHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019178267-A2 INDUCTIVE REGENERATION OF THE AIRWAY BY TRANSCRIPTIONAL FACTOR MODULATION OF GLANDULAR MYOEPITHELIAL STEM CELLS UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2019-09-19 WO claimed
US-11971402-B2 Methods and reagents for determination and treatment of organotropic metastasis CORNELL UNIVERSITY (US) 2024-04-30 US disclosed
US-20210010082-A1 Methods of Novel Therapeutic Candidate Identification Through Gene Expression Analysis in Vascular-Related Diseases VASCULAR BIOSCIENCES (US) 2021-01-14 US disclosed
EP-2977468-B1 METHODS OF NOVEL THERAPEUTIC CANDIDATE IDENTIFICATION THROUGH GENE EXPRESSION ANALYSIS IN PULMONARY ARTERIAL HYPERTENSION VASCULAR BIOSCIENCES INC (US) 2019-06-19 EP disclosed
US-20190049435-A1 METHODS AND REAGENTS FOR DETERMINATION AND TREATMENT OF ORGANOTROPIC METASTASIS UNITED STATES GOVERNMENT 2019-02-14 US disclosed
US-10137188-B2 Cell lines for virus production and methods of use UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2018-11-27 US disclosed
EP-3372685-A2 CELL LINES FOR VIRUS PRODUCTION AND METHODS OF USE University of Georgia Research Foundation, Inc. (US) 2018-09-12 EP disclosed
US-20180162862-A1 INHIBITORS OF BACTERIAL GLYCOSYL TRANSFERASES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-06-14 US disclosed
US-20180162862-A1 INHIBITORS OF BACTERIAL GLYCOSYL TRANSFERASES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-06-14 US disclosed
EP-3303338-A1 INHIBITORS OF BACTERIAL GLYCOSYL TRANSFERASES President and Fellows of Harvard College (US) 2018-04-11 EP disclosed
US-20110091421-A1 Methods of Novel Therapeutic Candidate Identification Through Gene Expression Analysis in Vascular-Related Diseases VASCULAR BIOSCIENCES, INC. 2011-04-21 US disclosed
US-20080287480-A1 Therapeutic Combination Comprising a Nmda Receptors Blocker and a Narcotic Analgesic Substance CHIESI FARMACEUTICI S.P.A. (IT) 2008-11-20 US disclosed
EP-1909781-A1 THERAPEUTIC COMBINATION COMPRISING A NMDA RECEPTORS BLOCKER AND A NARCOTIC ANALGESIC SUBSTANCE CHIESI FARMACEUTICI S.p.A. (IT) 2008-04-16 EP disclosed
WO-2007017058-A1 THERAPEUTIC COMBINATION COMPRISING A NMDA RECEPTORS BLOCKER AND A NARCOTIC ANALGESIC SUBSTANCE CHIESI FARMACEUTICI S.P.A. (IT) 2007-02-15 WO disclosed
EP-1455771-B1 2-INDANYLAMINO DERIVATIVES FOR THE THERAPY OF CHRONIC, ACUTE OR INFLAMMATORY PAIN CHIESI FARMA SPA (IT) 2006-11-08 EP disclosed
EP-1321139-B1 2-Indanylamino deratives for the therapy of chronic, acute or inflammatory pain CHIESI FARMA SPA (IT) 2006-08-23 EP disclosed
US-20050222266-A1 2-indanylamino derivatives for the therapy of chronic pain CHIESI FARMACEUTICI S.P.A. (IT) 2005-10-06 US disclosed
EP-1455771-A2 2-INDANYLAMINO DERIVATIVES FOR THE THERAPY OF CHRONIC PAIN CHIESI FARMACEUTICI S.p.A. (IT) 2004-09-15 EP disclosed
WO-2003053429-A2 2-INDANYLAMINO DERIVATIVES FOR THE THERAPY OF CHRONIC PAIN CHIESI FARMACEUTICI S.P.A. (IT) 2003-07-03 WO disclosed
EP-1321139-A1 2-indanylamino derivatives for the therapy of chronic pain CHIESI FARMACEUTICI S.p.A. (IT) 2003-06-25 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 (3 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-20180162862-A1 INHIBITORS OF BACTERIAL GLYCOSYL TRANSFERASES SI, UGGT1, ALPI MAPT 260/4885GRM7 4298/4885MTNR1A 2812/4885
US-20050222266-A1 2-indanylamino derivatives for the therapy of chronic pain OPRD1, AANAT, OPRL1 MAPT 1852/4885GRM7 3388/4885MTNR1A 1707/4885
US-20080287480-A1 Therapeutic Combination Comprising a Nmda Receptors Blocker and a Narcotic Analgesic Substance OPRM1, OPRK1, GRIN2B MAPT 1228/4885GRM7 48/4885MTNR1A 160/4885

“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.