SCHEMBL4601564

SCHEMBL4601564

O=C1CCc2c(Cl)cccc2C1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.52
ADRA2A P08913 2/20 0.47
ADRA2B P18089 2/20 0.47
ADRA2C P18825 2/20 0.47
CYP2D6 P10635 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
CYP1A2 P05177 1/20 0.43
PNMT P11086 1/20 0.43
AHR P35869 1/20 0.43
NOTUM Q6P988 3/20 0.39
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.35
RECQL P46063 1/20 0.35
HTR2C P28335 1/20 0.34

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
SCHEMBL5836173 0.84 CYP2A6 (0.52) CYP2A6ADRA2AADRA2BADRA2CCYP2D6
SCHEMBL30253262 0.83 CYP1A2 (0.52) CYP2A6ADRA2AADRA2BADRA2CCYP2D6
SCHEMBL9672282 0.83 CYP1A2 (0.52) CYP2A6ADRA2AADRA2BADRA2CCYP2D6
SCHEMBL11247615 0.78
SCHEMBL1861381 0.78 ADRA2A (0.48) CYP2A6ADRA2AADRA2BADRA2CCYP2D6
SCHEMBL12430508 0.77 ADRA2A (0.44) CYP2A6ADRA2AADRA2BADRA2CCYP2D6
SCHEMBL14220348 0.76 CYP2A6 (0.52) CYP2A6CYP1A2
SCHEMBL1662187 0.76 CYP2A6 (0.52) CYP2A6CYP1A2
SCHEMBL8061942 0.76 CYP2A6 (0.52) CYP2A6CYP1A2NOTUM
SCHEMBL7333315 0.76 CYP2A6 (0.52) CYP2A6CYP1A2AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49481-E1 Compounds for the treatment and prophylaxis of respiratory syncytial virus disease HOFFMANN-LA ROCHE INC. (US) 2023-04-04 US disclosed
US-9796726-B2 Dihydroquinoline pyrazolyl compounds HOFFMANN-LA ROCHE INC. (US) 2017-10-24 US disclosed
US-9796702-B2 Dihydroquinoline pyrazolyl compounds HOFFMANN-LA ROCHE INC. (US) 2017-10-24 US disclosed
US-9790200-B2 Dihydroquinoline pyrazolyl compounds HOFFMANN-LA ROCHE INC. (US) 2017-10-17 US disclosed
US-20170226085-A1 DIHYDROQUINOLINE PYRAZOLYL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2017-08-10 US disclosed
US-20170226116-A1 NEW DIHYDROQUINOLINE PYRAZOLYL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2017-08-10 US disclosed
US-20170226079-A1 DIHYDROQUINOLINE PYRAZOLYL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2017-08-10 US disclosed
EP-2742039-B1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE HOFFMANN LA ROCHE (CH) 2015-09-16 EP disclosed
US-8871756-B2 Compounds for the treatment and prophylaxis of Respiratory Syncytial Virus disease HOFFMANN-LA ROCHE INC. (US) 2014-10-28 US disclosed
EP-2742039-A1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE F. Hoffmann-La Roche AG (CH) 2014-06-18 EP disclosed
EP-0817767-A1 BICYCLIC AMINE DERIVATIVES AND THEIR USE AS ANTI-PSYCHOTIC AGENTS SMITHKLINE BEECHAM PLC (GB) 1998-01-14 EP disclosed
WO-1996030333-A1 BICYCLIC AMINE DERIVATIVES AND THEIR USE AS ANTI-PSYCHOTIC AGENTS SMITHKLINE BEECHAM PLC (GB) 1996-10-03 WO disclosed
EP-0230967-B1 BENZAZECINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1991-10-23 EP disclosed
CN-1013111-B The method for preparing Benzazecin derivative HOFFMANN LA ROCHE (CH) 1991-07-10 CN disclosed
US-4957911-A LEARNING ENHANCEMENT HOFFMANN-LA ROCHE INC. (US) 1990-09-18 US disclosed
US-4876340-A Benzazecine derivatives for cognitive and memory functions HOFFMANN-LA ROCHE INC. (US) 1989-10-24 US disclosed
US-4749791-A Benzo[f]quinoline intermediates HOFFMANN-LA ROCHE INC. (US) 1988-06-07 US disclosed
US-4732979-A CEREBRAL INSUFFICIENCY HOFFMANN-LA ROCHE INC. (US) 1988-03-22 US disclosed
CN-87100312-A Benzacyclodecane derivatives 1987-09-09 CN disclosed
EP-0230967-A2 Benzazecine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1987-08-05 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 (3 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-20170226116-A1 NEW DIHYDROQUINOLINE PYRAZOLYL COMPOUNDS RECQL, NDUFS5, NDUFS7 CYP2A6 1806/4885ADRA2A 1431/4885ADRA2B 1130/4885
US-20170226085-A1 DIHYDROQUINOLINE PYRAZOLYL COMPOUNDS QDPR, RECQL, RDX CYP2A6 1550/4885ADRA2A 1646/4885ADRA2B 1226/4885
US-20170226079-A1 DIHYDROQUINOLINE PYRAZOLYL COMPOUNDS QDPR, RECQL, NDUFS5 CYP2A6 1181/4885ADRA2A 1888/4885ADRA2B 1448/4885

“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.