SCHEMBL226802

SCHEMBL226802

CCCN(CCC)c1nc(C)nc2c1c1ccccc1n2-c1c(C)cc(C)cc1C

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 15/20 0.77
TDP1 Q9NUW8 2/20 0.53
FPR3 P25089 2/20 0.47
TSPO P30536 2/20 0.47
TMEM97 Q5BJF2 2/20 0.47

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
SCHEMBL7557259 0.91 CRHR1 (0.66) CRHR1TDP1FPR3TSPOTMEM97
SCHEMBL7554726 0.91 CRHR1 (0.64) CRHR1TDP1
SCHEMBL7554871 0.89 CRHR1 (0.69) CRHR1TDP1FPR3TSPOTMEM97
SCHEMBL7563114 0.89 CRHR1 (0.62) CRHR1TDP1FPR3TSPOTMEM97
SCHEMBL7559415 0.88 CRHR1 (0.70) CRHR1TDP1
SCHEMBL7960908 0.88 CRHR1 (0.61) CRHR1TDP1FPR3TSPOTMEM97
SCHEMBL7553858 0.86 CRHR1 (0.64) CRHR1TDP1FPR3TSPOTMEM97
SCHEMBL7557736 0.85 CRHR1 (0.61) CRHR1TDP1FPR3TSPOTMEM97
SCHEMBL245417 0.84 CRHR1 (0.56) CRHR1TDP1
SCHEMBL7555695 0.83 CRHR1 (0.59) CRHR1TDP1FPR3TSPOTMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020019406-A1 9H-pyrimido[4,5-b]indole derivatives: CRF1 specific ligands NEUROGEN CORPORATION 2002-02-14 US claimed
US-20230181673-A1 TRI-PEPTIDES AND TREATMENT OF METABOLIC, CARDIOVASCULAR AND INFLAMMATORY DISORDERS DIAPIN THERAPEUTICS LLC 2023-06-15 US disclosed
EP-2582709-B1 AZOLOPYRIDIN-3-ONE DERIVATIVES AS INHIBITORS OF LIPASES AND PHOSPHOLIPASES SANOFI SA (FR) 2018-01-24 EP disclosed
EP-2683698-B1 BENZYL-OXATHIAZINE DERIVATES SUBSTITUTED WITH ADAMANTANE OR NORADAMANTANE, MEDICAMENTS CONTAINING SAID COMPOUNDS AND USE THEREOF SANOFI SA (FR) 2017-10-04 EP disclosed
EP-2897939-B1 BENZOIMIDAZOLE-CARBOXYLIC ACID AMIDE DERIVATIVES FOR TREATING METABOLIC OR CARDIOVASCULAR DISEASES SANOFI SA (FR) 2017-02-01 EP disclosed
EP-2203415-B1 (CYCLOPROPYL-PHENYL)-PHENYL-OXALAMIDES, METHOD FOR THEIR MANUFACTURE AND THEIR APPLICATION AS MEDICINES SANOFI SA (FR) 2016-10-26 EP disclosed
EP-2203416-B1 (CARBOXY ALKYLENE-PHENYL)-PHENYL-OXALAMIDES, METHOD FOR THEIR MANUFACTURE AND THEIR APPLICATION AS MEDICINES SANOFI SA (FR) 2016-10-26 EP disclosed
EP-2144885-B1 IMIDAZOLIDINE CARBOXAMIDE DERIVATIVES AS LIPASE AND PHOSPHOLIPASE INHIBITORS SANOFI SA (FR) 2016-06-29 EP disclosed
EP-2144891-B1 5-OXO-ISOXAZOLES AS INHIBITORS OF LIPASES AND PHOSPHOLIPASES SANOFI SA (FR) 2016-06-15 EP disclosed
EP-2847191-B1 SUBSTITUTED 6-(4-HYDROXY-PHENYL)-1H-PYRAZOLO[3,4-B]PYRIDINE DERIVATIVES AS KINASE INHIBITORS SANOFI SA (FR) 2016-06-15 EP disclosed
US-20030216370-A1 Acyl-3-carboxyphenylurea derivatives, processes for preparing them and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-11-20 US disclosed
WO-2003084923-A1 ACYL-3-CARBOXYPHENYLUREA DERIVATIVES, METHOD FOR PRODUCTION AND USE THEREOF AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-10-16 WO disclosed
WO-2003084922-A1 ACYL-4-CARBOXYPHENYLUREA DERIVATIVES, METHOD FOR PRODUCTION AND USE THEREOF AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-10-16 WO disclosed
US-20030158094-A1 Combination product of an aryl-substituted propanolamine derivative with at least one other active ingredient and the use of the product AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-08-21 US disclosed
US-20030158119-A1 Combination product of a 1,4-benzothiepine 1,1-dioxide compound with at least on AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-08-21 US disclosed
US-20030144332-A1 Diarylcycloalkyl derivatives, processes for their preparation and their use s pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-07-31 US disclosed
WO-2003020269-A1 DIARYL CYCLOALKYL DERIVATIVES, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF AS PPAR ACTIVATORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-03-13 WO disclosed
WO-2003018024-A1 COMBINED PREPARATIONS, CONTAINING 1,4-BENZOTHIEPINE-1,1-DIOXIDE DERIVATIVES AND OTHER ACTIVE SUBSTANCES, AND THE USE THEREOF AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-03-06 WO disclosed
US-20020019406-A1 9H-pyrimido[4,5-b]indole derivatives: CRF1 specific ligands NEUROGEN CORPORATION 2002-02-14 US disclosed
US-6284766-B1 DIAGNOSIS, THERAPY OF STRESS DISORDERS NEUROGEN CORPORATION 2001-09-04 US 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-20030144332-A1 Diarylcycloalkyl derivatives, processes for their preparation and their use s pharmaceuticals PNLIP, LIPC, APOB CRHR1 3283/4885TDP1 1434/4885FPR3 2015/4885
US-20030158094-A1 Combination product of an aryl-substituted propanolamine derivative with at least one other active ingredient and the use of the product ADRA1D, ADRA1B, ADRB3 CRHR1 585/4885TDP1 4050/4885FPR3 381/4885
US-20020019406-A1 9H-pyrimido[4,5-b]indole derivatives: CRF1 specific ligands HTR1D, CRHR1, HTR1A CRHR1 2/4885TDP1 2969/4885FPR3 224/4885
US-20030216370-A1 Acyl-3-carboxyphenylurea derivatives, processes for preparing them and their use CPS1, AGPAT2, GLS CRHR1 4699/4885TDP1 3306/4885FPR3 1847/4885
US-20030158119-A1 Combination product of a 1,4-benzothiepine 1,1-dioxide compound with at least on SULT1E1, BPNT1, CYP3A4 CRHR1 900/4885TDP1 1083/4885FPR3 1295/4885

“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.