SCHEMBL1885696

SCHEMBL1885696

CC[N]CCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.54
HIF1A Q16665 2/20 0.54
CYP2A6 P11509 2/20 0.54
TRPA1 O75762 1/20 0.54
CYP2E1 P05181 1/20 0.54
CYP2A13 Q16696 1/20 0.54
EPAS1 Q99814 1/20 0.54
TP53 P04637 1/20 0.46
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44
TAAR1 Q96RJ0 3/20 0.43
ATM Q13315 1/20 0.43
NAAA Q02083 3/20 0.42
ADRA2A P08913 2/20 0.42

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
SCHEMBL5474782 0.86 MIF (0.57) MIFHIF1ACYP2A6TRPA1CYP2E1
SCHEMBL721250 0.85 HIF1A (0.56) MIFHIF1ACYP2A6TRPA1CYP2E1
SCHEMBL9819848 0.85 MIF (0.58) MIFNAAAADRA2ASLC6A2ADRA1A
SCHEMBL6560088 0.84 MIF (0.47) MIFHIF1ACYP2A6TRPA1CYP2E1
SCHEMBL10649918 0.83 NAAA (0.59) MIFNAAAKCNH2
SCHEMBL9035864 0.80 KCNH2 (0.49) MIFHIF1ACYP2A6TRPA1CYP2E1
SCHEMBL9819988 0.79 SIGMAR1 (0.52) MIFTP53HPGDNAAAHTR2A
SCHEMBL9212818 0.79 SIGMAR1 (0.52) MIFTP53HPGDNAAAHTR2A
SCHEMBL9819835 0.79 SIGMAR1 (0.52) MIFTP53HPGDNAAAHTR2A
SCHEMBL2643014 0.78 MIF (0.50) MIFHIF1ACYP2A6TRPA1CYP2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001041763-A1 TREATMENT OF ADDICTION DISORDERS UNIVERSITY OF CINCINNATI (US) 2001-06-14 WO claimed
EP-0208404-A2 Benzothiazine dioxide derivatives PFIZER INC. (US) 1987-01-14 EP claimed
US-4623486-A [4-substituted benzoyloxy]-N-substituted-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxides having anti-arthritic activity PFIZER INC. (US) 1986-11-18 US claimed
EP-1731505-B1 ALKOXYPHENYLPROPANOIC ACID DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2015-01-14 EP disclosed
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH 2011-05-05 US disclosed
EP-2253315-A1 Alkoxyphenylpropanoic acid derivatives Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP disclosed
US-7732618-B2 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH (US) 2010-06-08 US disclosed
EP-1814865-A4 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH CORP (US) 2009-09-02 EP disclosed
US-7569570-B2 Thienopyrimidines, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-04 US disclosed
US-20090099192-A1 Substituted 1H-pyrrole-2,5-diones BAYER CROPSCIENCE AG (DE) 2009-04-16 US disclosed
US-7517910-B2 Alkoxyphenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-14 US disclosed
EP-0023569-A1 Derivatives of carboxylic acids, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1981-02-11 EP disclosed
US-4122261-A Polycyclic iminoisoindoline chelates STERLING DRUG INC. (US) 1978-10-24 US disclosed
US-4091222-A ANTIINFLAMMATORY, ANTIPYRETIC, ANALGESIC, ANTITUSSIVE, CNS EFFECTS, ANAESTHETICS, ANTIARRHYTHMIC, HYPOTENSIVE, ANTICOAGULANTS MANGHISI ELSO 1978-05-23 US disclosed
US-4066653-A 1-IMINO-3-(4-IMINO-5-THIAZOLIDINYLIDENE)ISOINDOLINES STERLING DRUG INC. (US) 1978-01-03 US disclosed
US-4061637-A CNS, CARDIOVASCULAR, ANTIINFLAMMATORY, ADRENOLYTIC, ANTIULCER ISTITUTO LUSO FARMACO D'ITALIA S.R.L. (IT) 1977-12-06 US disclosed
US-3993658-A Thiazolidinylidene-isoindolines STERLING DRUG INC. (US) 1976-11-23 US disclosed
US-3988475-A ANAESTHETICS, ANTIARRHYTHMIA, HYPOTENSIVES, ADRENERGIC ISTITUTO LUSO FARMACO D'ITALIA S.R.L. (IT) 1976-10-26 US disclosed
US-3970672-A 2,2 Disubstituted-benzodioxoles ISTITUTO LUSO FARMACO D'ITALIA S.R.L. (IT) 1976-07-20 US disclosed
US-3960886-A Substituted N-arylanilines STERLING DRUG INC. (US) 1976-06-01 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 (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-20090099192-A1 Substituted 1H-pyrrole-2,5-diones PYCR1, COX5A, COX5B MIF 2845/4885HIF1A 784/4885CYP2A6 1771/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 MIF 146/4885HIF1A 554/4885CYP2A6 1311/4885

“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.