SCHEMBL2803334

SCHEMBL2803334

c1ncc(C2CCNCC2)cn1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
HRH3 Q9Y5N1 2/20 0.50
HTR2C P28335 8/20 0.44
QDPR P09417 1/20 0.44
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
HRH4 Q9H3N8 3/20 0.37
KDM1A O60341 1/20 0.37

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
Hydrochloric Acid SCHEMBL4463792 0.98 SLC18A3 (0.50) SLC18A3SIGMAR1HRH3HTR2CQDPR
SCHEMBL1334937 0.86 HTR3A (0.52) SLC18A3SIGMAR1HRH3CHRNB2CHRNB4
SCHEMBL25402303 0.86 SLC18A3 (0.52) SLC18A3SIGMAR1HRH3HTR2CQDPR
SCHEMBL2080928 0.81 HRH3 (0.39) SLC18A3SIGMAR1HRH3CHRNB2CHRNB4
SCHEMBL3823024 0.77 CYP11B2 (0.50) CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL31615751 0.77 HTR2C (0.45) SLC18A3SIGMAR1HRH3HTR2CQDPR
SCHEMBL16272073 0.77 HTR2C (0.46) SLC18A3SIGMAR1HRH3HTR2CQDPR
SCHEMBL30676152 0.77 CYP11B2 (0.67) SLC18A3SIGMAR1HTR2CCHRNB2CHRNA4
SCHEMBL533875 0.77 CYP11B2 (0.67) SLC18A3SIGMAR1HTR2CCHRNB2CHRNA4
SCHEMBL24067500 0.76 SLC18A3 (0.64) SLC18A3SIGMAR1HTR2CQDPRHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2773207-B1 AMINOPYRIMIDINONES AS INTERLEUKIN RECEPTOR-ASSOCIATED KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-03-07 EP disclosed
US-9221809-B2 Aminopyrimidinones as interleukin receptor-associated kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-12-29 US disclosed
EP-2206714-B1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO LTD (JP) 2015-01-21 EP disclosed
US-20140329799-A1 AMINOPYRIMIDINONES AS INTERLEUKIN RECEPTOR-ASSOCIATED KINASE INHIBITORS MERCK SHARP & DOHME LLC 2014-11-06 US disclosed
EP-2773207-A1 AMINOPYRIMIDINONES AS INTERLEUKIN RECEPTOR-ASSOCIATED KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-09-10 EP disclosed
US-8729264-B2 Agent for prevention and/or treatment of skin diseases KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-05-20 US disclosed
CN-101878217-B Agent for prevention and/or treatment of skin diseases KYOWA HAKKO KIRIN CO LTD 2014-01-15 CN disclosed
WO-2013066729-A1 AMINOPYRIMIDINONES AS INTERLEUKIN RECEPTOR-ASSOCIATED KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-05-10 WO disclosed
CN-101878217-A Agent for prevention and/or treatment of skin diseases KYOWA HAKKO KIRIN CO LTD 2010-11-03 CN disclosed
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-10-07 US disclosed
EP-2206714-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES Kyowa Hakko Kirin Co., Ltd. (JP) 2010-07-14 EP disclosed
US-7598243-B2 inhibit atherosclerotic lesion formation and pathological progression by impairing monocyte recruitment and differentiation in the arterial wall; antiinflammatory, anticarcinogenic agent; autoimmune diseases MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-7598243-B2 inhibit atherosclerotic lesion formation and pathological progression by impairing monocyte recruitment and differentiation in the arterial wall; antiinflammatory, anticarcinogenic agent; autoimmune diseases MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-7491737-B2 Heterarylpiperidine modulators of chemokine receptor activity MERCK & CO., INC. (US) 2009-02-17 US disclosed
US-7491737-B2 Heterarylpiperidine modulators of chemokine receptor activity MERCK & CO., INC. (US) 2009-02-17 US disclosed
US-20080081803-A1 Heterocyclic cyclopentyl tetrahydroisoquinoline and tetrahydropyridopyridine modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2008-04-03 US disclosed
US-20080081803-A1 Heterocyclic cyclopentyl tetrahydroisoquinoline and tetrahydropyridopyridine modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2008-04-03 US disclosed
US-5215967-A AMINOACID DERIVATIVES INHIBITING RENIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-06-01 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 (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-20080081803-A1 Heterocyclic cyclopentyl tetrahydroisoquinoline and tetrahydropyridopyridine modulators of chemokine receptor activity CCR1, CCR5, CCR2 SLC18A3 2079/4885SIGMAR1 786/4885HRH3 49/4885
US-20140329799-A1 AMINOPYRIMIDINONES AS INTERLEUKIN RECEPTOR-ASSOCIATED KINASE INHIBITORS IRAK4, IRAK1, IRAK2 SLC18A3 4860/4885SIGMAR1 2630/4885HRH3 656/4885
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES TYR, CUTA, SERPINB1 SLC18A3 4107/4885SIGMAR1 4738/4885HRH3 2544/4885

“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.