SCHEMBL856313

SCHEMBL856313

Fc1ccc(-c2ccc3[nH]ccc3c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.70
NPC1 O15118 2/20 0.69
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
CYP17A1 P05093 1/20 0.54
CYP11B1 P15538 1/20 0.54
CYP11B2 P19099 1/20 0.54
PTGS2 P35354 1/20 0.51
TNIK Q9UKE5 1/20 0.51
RAB9A P51151 1/20 0.50
GPR84 Q9NQS5 1/20 0.50
HDAC2 Q92769 1/20 0.49
NR4A2 P43354 2/20 0.48
CYP2A6 P11509 1/20 0.48
F7 P08709 1/20 0.48
LTA4H P09960 1/20 0.48
F3 P13726 1/20 0.48
USP2 O75604 1/20 0.48

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
SCHEMBL12070110 0.90 AHR (0.58) AHRNPC1CA12CA1CA2
SCHEMBL5850255 0.87 NPC1 (0.79) AHRNPC1CA12CA1CA2
SCHEMBL147946 0.84 AHR (0.70) AHRNPC1GPR84CYP2A6APP
SCHEMBL18805065 0.83 AHR (1.00) AHRNPC1CA12CA1CA2
SCHEMBL228554 0.83 AHR (1.00) AHRNPC1CA12CA1CA2
SCHEMBL446619 0.82 NPC1 (1.00) AHRNPC1CA12CA1CA2
SCHEMBL30587350 0.82 NPC1 (1.00) AHRNPC1CA12CA1CA2
Methane SCHEMBL27929619 0.81 AHR (0.95) AHRNPC1CA12CA1CA2
Biphenyl SCHEMBL27962699 0.81 AHR (0.78) AHRNPC1CA12CA1CA2
SCHEMBL7091087 0.80 AHR (0.65) AHRNPC1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1092765-A New tryptamine analogues and preparation method thereof and purposes SMITHKLINE BEECHAM PLC (GB) 1994-09-28 CN claimed
US-20240059688-A1 CONOLIDINE ANALOGUES AS SELECTIVE ACKR3 MODULATORS FOR THE TREATMENT OF CANCER LUXEMBOURG INSTITUTE OF HEALTH (LIH) (LU) 2024-02-22 US disclosed
EP-4267579-A1 CONOLIDINE ANALOGUES AS SELECTIVE ACKR3 MODULATORS FOR THE TREATMENT OF CANCER AND CARDIOVASCULAR DISEASES Luxembourg Institute of Health (LIH) (LU) 2023-11-01 EP disclosed
WO-2022136486-A1 CONOLIDINE ANALOGUES AS SELECTIVE ACKR3 MODULATORS FOR THE TREATMENT OF CANCER AND CARDIOVASCULAR DISEASES LUXEMBOURG INSTITUTE OF HEALTH (LIH) (LU) 2022-06-30 WO disclosed
CN-109433267-A A kind of preparation method of anti-tardive dyskinesia sertindole drug intermediate 泰山医学院 2019-03-08 CN disclosed
EP-1859798-B1 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR LILLY CO ELI (US) 2015-12-30 EP disclosed
US-8143271-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-03-27 US disclosed
US-8143271-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-03-27 US disclosed
US-8044090-B2 N-(2-arylethyl)benzylamines as antagonists of the 5-HT6 receptor ELI LILLY (US) 2011-10-25 US disclosed
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR CHEN ZHAOGEN 2009-12-10 US disclosed
US-7157488-B2 N-(2-Arylethyl) benzylamines as antagonists of the 5-HT6 receptor ELI LILLY AND COMPANY (US) 2007-01-02 US disclosed
US-20060009511-A9 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor CHEN ZHAOGEN 2006-01-12 US disclosed
CN-1610547-A N-(2-arylethyl)benzylamines as antagonists of the 5-HT6 receptor LILLY CO ELI (US) 2005-04-27 CN disclosed
EP-0734386-B1 PLATELET ACTIVATING FACTOR ANTAGONISTS: IMIDAZOPYRIDINE INDOLES ABBOTT LAB (US) 2002-02-06 EP disclosed
EP-0734386-A1 PLATELET ACTIVATING FACTOR ANTAGONISTS: IMIDAZOPYRIDINE INDOLES Abbott Laboratories (US) 1996-10-02 EP disclosed
US-5486525-A ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1996-01-23 US disclosed
EP-0674620-A1 TRYPTAMINE ANALOGUES AS 5-HT 1?-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-10-04 EP disclosed
WO-1995016687-A1 PLATELET ACTIVATING FACTOR ANTAGONISTS: IMIDAZOPYRIDINE INDOLES ABBOTT LABORATORIES (US) 1995-06-22 WO disclosed
CN-1092765-A New tryptamine analogues and preparation method thereof and purposes SMITHKLINE BEECHAM PLC (GB) 1994-09-28 CN disclosed
WO-1994014771-A1 TRYPTAMINE ANALOGUES AS 5-HT1-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-07-07 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 (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-20060009511-A9 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor HTR6, HTR2C, HTR1B AHR 271/4885NPC1 2564/4885CA12 4818/4885
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B AHR 271/4885NPC1 2564/4885CA12 4818/4885
US-20240059688-A1 CONOLIDINE ANALOGUES AS SELECTIVE ACKR3 MODULATORS FOR THE TREATMENT OF CANCER ACKR3, CMKLR1, CXCR4 AHR 1394/4885NPC1 2820/4885CA12 4510/4885

“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.