SCHEMBL6142003

SCHEMBL6142003

Cc1ccc(-c2ccc3[nH]c(C(=O)N4CCN(C)CC4)cc3c2)cc1

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 16/20 0.81
HRH3 Q9Y5N1 3/20 0.67
HRH1 P35367 1/20 0.67
ABCB1 P08183 1/20 0.64
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63
AKR1C3 P42330 1/20 0.62
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60

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
SCHEMBL601515 0.90 HRH4 (1.00) HRH4HRH3HRH1NPC1RAB9A
SCHEMBL6130834 0.82 HRH4 (1.00) HRH4HRH3HRH1
SCHEMBL5056068 0.82 HRH4 (0.77) HRH4HRH3HRH1ABCB1NPC1
SCHEMBL604107 0.81 HRH4 (1.00) HRH4HRH3HRH1MEN1KMT2A
Jnj-7777120 SCHEMBL186434 0.81 HRH4 (1.00) HRH4HRH3HRH1KMT2A
SCHEMBL6141960 0.81 HRH4 (1.00) HRH4HRH3HRH1
Jnj-7777120 SCHEMBL29381532 0.81 HRH4 (1.00) HRH4HRH3HRH1KMT2A
SCHEMBL603452 0.81 HRH4 (1.00) HRH4HRH3HRH1KMT2A
SCHEMBL6830038 0.80 HRH4 (0.72) HRH4HRH3HRH1
SCHEMBL14845693 0.79 NPC1 (0.97) HRH4HRH3NPC1RAB9AAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373204-B1 HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICALS INC (US) 2016-10-26 EP disclosed
EP-1373204-B1 HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICALS INC (US) 2016-10-26 EP disclosed
CN-1694703-A Use of indolyl derivatives for the manufacture of a medicament for the treatment allergic rhinitis JANSSEN PHARMACEUTICA NV (BE) 2005-11-09 CN disclosed
EP-1551406-A1 USE OF INDOLYL DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF ALLERGIC RHINITIS JANSSEN PHARMACEUTICA N.V. (BE) 2005-07-13 EP disclosed
US-20050085487-A1 Heterocyclic compounds CARRUTHERS NICHOLAS I (US) 2005-04-21 US disclosed
US-6803362-B2 ANTIHISTAMINES SUCH AS (5-CHLORO-1H-INDOL-2-YL)-(4-METHYL-PIPERAZIN-1-YL)-METHANONE, USED AS ANTIINFLAMMATORY, ANTIARTHRITIC OR BRONCHODILATOR AGENTS AND/OR IMMUNOLOGY MODULATORS ORTHO-MCNEIL PHARMACEUTICAL INC. 2004-10-12 US disclosed
WO-2004022061-A1 USE OF INDOLYL DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT ALLERGIC RHINITIS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-03-18 WO disclosed
EP-1373204-A2 HETEROCYCLIC COMPOUNDS Ortho-McNeil Pharmaceutical, Inc. (US) 2004-01-02 EP disclosed
US-20030207893-A1 Heterocyclic compounds ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-11-06 US disclosed
WO-2002072548-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS HISTAMINE H4 LIGANDS. ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-09-19 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-20050085487-A1 Heterocyclic compounds AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NQO1 HRH4 1501/4885HRH3 3116/4885HRH1 2434/4885
US-20030207893-A1 Heterocyclic compounds AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NQO1 HRH4 1508/4885HRH3 3119/4885HRH1 2432/4885

“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.