SCHEMBL4227663

SCHEMBL4227663

OCCc1c[nH]c2cc(Br)ccc12

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.65
CHRNA7 P36544 1/20 0.65
CHRNA4 P43681 1/20 0.65
NPC1 O15118 1/20 0.55
HTR2C P28335 3/20 0.54
HTR2A P28223 4/20 0.53
TRPM8 Q7Z2W7 1/20 0.53
GPR84 Q9NQS5 1/20 0.50
CYP2D6 P10635 1/20 0.49
IMPDH2 P12268 1/20 0.47
CYP2A6 P11509 1/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
SLC6A4 P31645 1/20 0.47
CDK2 P24941 1/20 0.46
CHEK1 O14757 1/20 0.46
HTR1A P08908 1/20 0.46
HTR2B P41595 1/20 0.45
CSNK2A1 P68400 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
SCHEMBL29444443 0.86 HTR2A (0.71) CHRNB2CHRNA7CHRNA4HTR2CHTR2A
SCHEMBL733712 0.86 HTR2A (0.71) CHRNB2CHRNA7CHRNA4HTR2CHTR2A
SCHEMBL24144797 0.86 CHRNB2 (0.59) CHRNB2CHRNA7CHRNA4HTR2CHTR2A
SCHEMBL2533934 0.83 HTR2A (0.76) CHRNB2CHRNA7CHRNA4HTR2CHTR2A
SCHEMBL32684044 0.83 HTR2A (0.76) CHRNB2CHRNA7CHRNA4HTR2CHTR2A
SCHEMBL27929613 0.82 GPR84 (0.72) CHRNB2CHRNA7CHRNA4HTR2ATRPM8
Hydrochloric Acid SCHEMBL2706928 0.81 HTR2A (0.73) CHRNB2CHRNA7CHRNA4HTR2CHTR2A
SCHEMBL30517178 0.81 CHRNB2 (0.58) CHRNB2CHRNA7CHRNA4NPC1HTR2C
SCHEMBL21132337 0.81 HTR2C (0.75) NPC1HTR2CHTR2ACYP2D6SLC6A4
SCHEMBL20913762 0.80 NPC1 (0.52) CHRNB2CHRNA7CHRNA4NPC1HTR2C

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339886-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-10-26 US disclosed
US-20230339886-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-10-26 US disclosed
CN-115772183-A Indolylethyl fluoroboric acid derivatives, and preparation method and application thereof 复旦大学 2023-03-10 CN disclosed
CN-114957266-A Total synthesis method of natural product aurantialcaine racemate 上海应用技术大学 2022-08-30 CN disclosed
WO-2021263278-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS THE SCRIPPS RESEARCH INSTITUTE (US) 2021-12-30 WO disclosed
WO-2009006089-A2 A2 ADENOSINE RECEPTOR AGONISTS GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-01-08 WO disclosed
US-7217730-B2 Method for the use of pyranoindole derivatives to treat infection with Hepatitis C virus WYETH (US) 2007-05-15 US disclosed
EP-1509225-A1 METHOD FOR THE USE OF PYRANOINDOLE DERIVATIVES TO TREAT INFECTION WITH HEPATITIS C VIRUS Wyeth (US) 2005-03-02 EP disclosed
US-20040082643-A1 Method for the use of pyranoindole derivatives to treat infection with Hepatitis C virus WYETH (US) 2004-04-29 US disclosed
WO-2003099275-A1 METHOD FOR THE USE OF PYRANOINDOLE DERIVATIVES TO TREAT INFECTION WITH HEPATITIS C VIRUS WYETH (US) 2003-12-04 WO disclosed
US-5830911-A ANTIARTHRITIC AGENTS; ANTICARCINOGENIC AGENTS; ALZHEIMER'SDISEASE AMERICAN HOME PRODUCTS CORPORATION (US) 1998-11-03 US disclosed
US-5824699-A COMPOUNDS FOR TREATMENT OF ARTHRITIS, COLORECTAL CANCER AND ALZHEIMER'S DISEASE AMERICAN HOME PRODUCTS CORPORATION (US) 1998-10-20 US disclosed
US-5776967-A ANTIINFLAMMATORY AGENTS; THERAPY FOR ARTHRITIC DISORDERS, COLORECTAL CANCER AND ALZHEIMER'S DISEASE AMERICAN HOME PRODUCTS CORPORATION (US) 1998-07-07 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-20230339886-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS NR1H2, NR1H3, NR1D1 CHRNB2 2182/4885CHRNA7 2170/4885CHRNA4 2872/4885
US-20040082643-A1 Method for the use of pyranoindole derivatives to treat infection with Hepatitis C virus HAVCR2, HCCS, ZC3HAV1 CHRNB2 4554/4885CHRNA7 3514/4885CHRNA4 4155/4885

“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.