SCHEMBL368354

SCHEMBL368354

CCCCCc1csc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.56
IDO1 P14902 1/20 0.49
ALDH1A1 P00352 2/20 0.47
CHRNA7 P36544 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
LIPG Q9Y5X9 1/20 0.43
MTNR1A P48039 1/20 0.43
DRD2 P14416 1/20 0.42
SLC6A4 P31645 1/20 0.42
GPR35 Q9HC97 1/20 0.42
MAPT P10636 1/20 0.42
TP53 P04637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HPGD P15428 1/20 0.40
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40

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
SCHEMBL9347766 0.98 CYP2A6 (0.55) CYP2A6IDO1ALDH1A1CHRNA7SMN1; SMN2
SCHEMBL9347729 0.98 CYP2A6 (0.55) CYP2A6IDO1ALDH1A1CHRNA7SMN1; SMN2
SCHEMBL3789614 0.95 CYP2A6 (0.58) CYP2A6IDO1ALDH1A1CHRNA7SMN1; SMN2
SCHEMBL91191 0.87 CYP2A6 (0.62) CYP2A6IDO1ALDH1A1CHRNA7SMN1; SMN2
SCHEMBL6690187 0.84 DRD2 (0.52) CYP2A6ALDH1A1CHRNA7SMN1; SMN2CRHBP
SCHEMBL7434783 0.82 CYP2A6 (0.67) CYP2A6IDO1ALDH1A1CHRNA7SMN1; SMN2
SCHEMBL5540612 0.82 CYP2A6 (0.56) CYP2A6IDO1ALDH1A1CHRNA7SMN1; SMN2
SCHEMBL17101656 0.81 CYP2A6 (0.62) CYP2A6IDO1ALDH1A1CHRNA7SMN1; SMN2
SCHEMBL5536097 0.81 CYP2A6 (0.55) CYP2A6IDO1ALDH1A1CHRNA7SMN1; SMN2
SCHEMBL81236 0.80 CYP2A6 (0.58) CYP2A6IDO1ALDH1A1CHRNA7SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109232523-B 3-acyl benzothiophene derivative and preparation method thereof 温州大学 2020-06-19 CN disclosed
CN-109232523-B 3-acyl benzothiophene derivative and preparation method thereof 温州大学 2020-06-19 CN disclosed
CN-109232523-B 3-acyl benzothiophene derivative and preparation method thereof 温州大学 2020-06-19 CN disclosed
US-9592237-B2 Use of CB1 antagonists and/or inverse agonists for the preparation of drugs that increase motor neuron excitability FUNDACION DEL HOSPITAL NACIONAL DE PARAPLEJICOS PARA LA INVESTIGACION Y LA INTEGRACION (FUHNPAIIN) (ES) 2017-03-14 US disclosed
US-20160106752-A1 Use of CB1 Antagonists and/or Inverse Agonists for the Preparation of Drugs that Increase Motor Neuron Excitability FUNDACION DEL HOSPITAL NACIONAL DE PARAPLEJICOS PARA LA INVESTIGACION Y LA INTEGRACION (FUHNPAIIN) (ES) 2016-04-21 US disclosed
US-9238027-B2 Use of CB1 antagonists and/or inverse agonists for the preparation of drugs that increase motor neuron excitability FUNDACION DEL HOSPITAL NACIONAL DE PARAPLEJICOS PARA LA INVESTIGACION Y LA INTEGRACION (FUHNPAIIN) (ES) 2016-01-19 US disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
EP-2305220-B1 Use of antagonists of the CB1 receptor for the manufacture of a composition useful for the treatment of hepatic diseases INST NAT SANTÉ ET DE LA RECH MÉDICALE INSERM (FR) 2014-07-30 EP disclosed
US-8604060-B2 Use of antagonists of the CBI receptor for the manufacture of a composition useful for the treatment of hepatic diseases INSERM (FR) 2013-12-10 US disclosed
US-20120329833-A1 USE OF ANTAGONISTS OF THE CBI RECEPTOR FOR THE MANUFACTURE OF A COMPOSITION USEFUL FOR THE TREATMENT OF HEPATIC DISEASES SANOFI-AVENTIS (FR) 2012-12-27 US disclosed
EP-0838461-A2 Substituted 2,3-aryl-benzothiophene compounds having estrogenic activity ELI LILLY AND COMPANY (US) 1998-04-29 EP disclosed
EP-0838461-A2 Substituted 2,3-aryl-benzothiophene compounds having estrogenic activity ELI LILLY AND COMPANY (US) 1998-04-29 EP disclosed
EP-0766559-A4 CANNABINOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-08-06 EP disclosed
EP-0766559-A4 CANNABINOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-08-06 EP disclosed
EP-0766559-A1 CANNABINOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-04-09 EP disclosed
EP-0766559-A1 CANNABINOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-04-09 EP disclosed
US-5596106-A ARYL-BENZO(B)THIOPHENE OR BENZO(B)FURAN COMPOUNDS ELI LILLY AND COMPANY (US) 1997-01-21 US disclosed
US-5596106-A ARYL-BENZO(B)THIOPHENE OR BENZO(B)FURAN COMPOUNDS ELI LILLY AND COMPANY (US) 1997-01-21 US disclosed
WO-1996002248-A1 CANNABINOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-02-01 WO disclosed
WO-1996002248-A1 CANNABINOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-02-01 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 (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-20120329833-A1 USE OF ANTAGONISTS OF THE CBI RECEPTOR FOR THE MANUFACTURE OF A COMPOSITION USEFUL FOR THE TREATMENT OF HEPATIC DISEASES CNR1, CNR2, GPR55 CYP2A6 459/4885IDO1 1487/4885ALDH1A1 1996/4885
US-20160106752-A1 Use of CB1 Antagonists and/or Inverse Agonists for the Preparation of Drugs that Increase Motor Neuron Excitability CNR1, CNR2, CHRNA9 CYP2A6 1504/4885IDO1 3996/4885ALDH1A1 2577/4885

“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.