SCHEMBL6823296

SCHEMBL6823296

O=C1CCc2ccccc2C1Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.50
RET P07949 1/20 0.50
SLC22A1 O15245 1/20 0.49
PRCP P42785 1/20 0.49
HRH1 P35367 4/20 0.43
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
HTR2C P28335 1/20 0.42
ANPEP P15144 1/20 0.41
HTR6 P50406 1/20 0.41
EP300 Q09472 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
SCHEMBL6823777 0.87 HTR2A (0.45) HTR2ARETSLC22A1PRCPHRH1
SCHEMBL7196338 0.86 ANPEP (0.52) HTR2ASLC22A1PRCPHRH1HTR2C
SCHEMBL5263777 0.83 TSHR (0.50) TSHRHTTEP300
SCHEMBL1708540 0.82 SLC6A2 (0.47) HTR2ATSHRHTTHTR2C
SCHEMBL15617162 0.82 TDP1 (0.41) HTR2ASLC22A1PRCPTSHRHTT
SCHEMBL6865807 0.82 DRD2 (0.39) HTR2ATSHRHTTHTR2C
SCHEMBL3753138 0.82 RET (0.42) HTR2ARET
SCHEMBL16473206 0.81 GRIN2B (0.39) SLC22A1PRCPTSHRHTTEP300
SCHEMBL1870242 0.79 HTR2A (0.53) HTR2ARETPRCPHRH1HTR2C
SCHEMBL6826968 0.78 HTR2A (0.50) HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10611786-B2 Manganese (III) catalyzed C—H aminations THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2020-04-07 US disclosed
US-20190106448-A1 MANGANESE (III) CATALYZED C--H AMINATIONS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-04-11 US disclosed
EP-1119543-B1 N-ARALKYLAMINOTETRALINS AS LIGANDS FOR THE NEUROPEPTIDE Y Y5 RECEPTOR ORTHO MCNEIL PHARM INC (US) 2004-12-15 EP disclosed
CN-1329589-A N-aralkylamino 1,2,3, 4-tetrahydronaphthalenes as ligands of neuropeptide YY5 receptor ORTHO MCNEIL PHARM INC (US) 2002-01-02 CN disclosed
EP-1119543-A1 N-ARALKYLAMINOTETRALINS AS LIGANDS FOR THE NEUROPEPTIDE Y Y5 RECEPTOR Ortho-McNeil Pharmaceutical, Inc. (US) 2001-08-01 EP disclosed
US-6201025-B1 FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-03-13 US disclosed
WO-2000020376-A1 N-ARALKYLAMINOTETRALINS AS LIGANDS FOR THE NEUROPEPTIDE Y Y5 RECEPTOR ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-04-13 WO disclosed
EP-0489547-B1 A process for the preparation of a 3-alkylated indole, intermediates, and a process for the preparation of a derivative thereof ZENECA LTD (GB) 1998-07-29 EP disclosed
US-4049701-A ANALGESICS, ANTIINFLAMMATORY AMERICAN HOME PRODUCTS CORPORATION (US) 1977-09-20 US disclosed
US-4001331-A ANTIINFLAMMATORY, ANALGESIC AMERICAN HOME PRODUCTS CORPORATION (US) 1977-01-04 US disclosed
US-4001326-A ANALGESICS, ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1977-01-04 US disclosed
US-3979434-A ANALGESICS, ANTIINFLAMMATORY AMERICAN HOME PRODUCTS CORPORATION (US) 1976-09-07 US disclosed
US-3976696-A ANALGESIC, ANTIINFLAMMATORY AMERICAN HOME PRODUCTS CORPORATION (US) 1976-08-24 US disclosed
US-3976693-A ANALGESIC, ANTIINFLAMMATORY AMERICAN HOME PRODUCTS CORPORATION (US) 1976-08-24 US disclosed
US-3957872-A ANALGESICS, ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1976-05-18 US disclosed
US-3937736-A ANALGESICS, ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1976-02-10 US disclosed
US-3931328-A CARBURETOR AMERICAN HOME PRODUCTS CORPORATION (US) 1976-01-06 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-10611786-B2 Manganese (III) catalyzed C—H aminations HLCS, NCL, NUDC HTR2A 4060/4885RET 4387/4885SLC22A1 2301/4885
US-20190106448-A1 MANGANESE (III) CATALYZED C--H AMINATIONS HLCS, NCL, NUDC HTR2A 3468/4885RET 4152/4885SLC22A1 2965/4885

“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.