SCHEMBL134399

SCHEMBL134399

[NH]CCc1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2D6 P10635 2/20 0.50
MTNR1A P48039 2/20 0.49
NQO2 P16083 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
ACP3 P15309 1/20 0.47
SLC18A2 Q05940 1/20 0.45
DAO P14920 1/20 0.45

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
SCHEMBL127565 0.87 CYP1A2 (0.50) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL3047898 0.85 CYP1A2 (0.62) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL131655 0.85 CYP1A2 (0.48) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL133564 0.84 CYP1A2 (0.47) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL130647 0.84 CYP1A2 (0.47) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL5830948 0.81 GPR84 (0.59) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL9800436 0.81 CYP1A2 (0.58) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL128321 0.81 CYP1A2 (0.58) CYP1A2CYP2C19CYP2C9CYP2D6TDP1
SCHEMBL5352914 0.78 CYP1A2 (0.61) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL27549 0.77 CYP1A2 (0.54) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022096990-A1 NOVEL HETROCYCLIC COMPOUNDS CADILA HEALTHCARE LIMITED (IN) 2022-05-12 WO disclosed
EP-1512397-B1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INST MED MOLECULAR DESIGN INC (JP) 2014-10-08 EP disclosed
US-8558009-B2 Pyrroles having hypolipidemic hypocholesteremic activities, process for their preparation and pharmaceutical compositions containing them and their use in medicine CADILA HEALTHCARE LIMITED (IN) 2013-10-15 US disclosed
WO-2013054351-A1 HETEROCYCLIC COMPOUNDS CADILA HEALTHCARE LIMITED (IN) 2013-04-18 WO disclosed
US-8263657-B2 Blocking neurokinins; using a benzene compound containing hydroxy or acetoxy group; antiinflammatory agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-09-11 US disclosed
US-20120220590-A1 NOVEL COMPOUNDS AS MODULATORS OF GLUCOCORTICOID RECEPTORS KAROBIOAB (SE) 2012-08-30 US disclosed
US-8212057-B2 Pyrroles having hypolipidemic hypocholesteremic activities, process for their preparation and pharmaceutical compositions containing them and their use in medicine CADILA HEALTHCARE LIMITED (IN) 2012-07-03 US disclosed
EP-2459524-A2 NOVEL COMPOUNDS AS MODULATORS OF GLUCOCORTICOID RECEPTORS Cadila Healthcare Limited (IN) 2012-06-06 EP disclosed
EP-1844766-B1 Inhibitors against the production and release of inflammatory cytokines INST MED MOLECULAR DESIGN INC (JP) 2012-04-18 EP disclosed
EP-1352650-B1 INHIBITORS AGAINST THE PRODUCTION AND RELEASE OF INFLAMMATORY CYTOKINES INST MED MOLECULAR DESIGN INC (JP) 2012-03-07 EP disclosed
US-5618814-A Trisubstituted pyrimido [5,4-d] pyrimidines for modulating multi-drug resistance and pharmaceutical compositions containing these compounds DR. KARL THOMAE GMBH (DE) 1997-04-08 US disclosed
US-5561147-A ANTIINFLAMMATORY AGENT, ANTIPYRETIC, ANALGESICS, ANTIALLERGENS, IMMUNOSUPPRESSANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-01 US disclosed
EP-0522606-B1 Pyridine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-04-03 EP disclosed
US-5457106-A Antiinflammatory agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-10 US disclosed
US-5389658-A Administering as antipyretic, antiinflammatory, analgesic, antiallergic, or immunosupressive agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-14 US disclosed
EP-0612729-A2 Pyridine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1994-08-31 EP disclosed
US-5246948-A Antiinflammatory, antipyretic, analgesic, antiallergic, immunosupressing or immunomodulating activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-21 US disclosed
EP-0522606-A2 Pyridine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-01-13 EP disclosed
EP-0232089-A2 Quinone amides, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-08-12 EP disclosed
EP-0108813-A1 GRAFTED CHROMATOGRAPHIC FILLER AND METHOD FOR ANALYZING ENANTIOMER MIXTURE USING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-05-23 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-20120220590-A1 NOVEL COMPOUNDS AS MODULATORS OF GLUCOCORTICOID RECEPTORS NR3C1, NR3C2, MC2R CYP1A2 506/4885CYP2C19 616/4885CYP2C9 1162/4885

“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.