SCHEMBL3443170

SCHEMBL3443170

c1ccc(CCC2CCCNC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.57
HRH4 Q9H3N8 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
EED O75530 1/20 0.48
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47

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
SCHEMBL3443727 1.00 KMT2A (0.57) KMT2AHRH4HRH3CHRNB2CHRNB4
SCHEMBL3443417 1.00 KMT2A (0.57) KMT2AHRH4HRH3CHRNB2CHRNB4
Hydrochloric Acid SCHEMBL6642879 0.98 KMT2A (0.56) KMT2AHRH4HRH3CHRNB2CHRNB4
SCHEMBL27370800 0.95 KMT2A (0.52) KMT2AHRH4HRH3CHRNB2CHRNB4
SCHEMBL11539231 0.90 KMT2A (0.55) KMT2AHRH4HRH3CHRNB2CHRNB4
SCHEMBL3044569 0.89 GBA1 (0.56) KMT2AHRH3
SCHEMBL15115475 0.85 KMT2A (0.50) KMT2AHRH4HRH3CHRNB2CHRNB4
SCHEMBL13505502 0.83 HRH3 (0.49) KMT2AHRH4HRH3CHRNB2CHRNB4
SCHEMBL27553990 0.83 HRH3 (0.49) KMT2AHRH4HRH3CHRNB2CHRNB4
SCHEMBL4169224 0.82 SLC6A3 (0.51) KMT2AHRH3SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1812970-A Process for producing nitrogenous heterocyclic compound TORAY FINECHEMICALS CO LTD (JP) 2006-08-02 CN claimed
EP-3436446-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2023-06-07 EP disclosed
CN-104812748-B Pyrazoline GPR40 conditioning agents 百时美施贵宝公司 2017-10-24 CN disclosed
CN-104955824-B It is used as the aminopyrimidine compounds of the inhibitor of the EGFR mutant containing T790M 豪夫迈·罗氏有限公司 2017-09-22 CN disclosed
CN-104918935-B dihydropyrazole GPR40 modulators 百时美施贵宝公司 2017-07-28 CN disclosed
CN-106458976-A Pyrrolidine gpr40 modulators for the treatment of diseases such as diabetes 百时美施贵宝公司 2017-02-22 CN disclosed
US-7816375-B2 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. (US) 2010-10-19 US disclosed
US-7816375-B2 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. (US) 2010-10-19 US disclosed
US-7816375-B2 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. (US) 2010-10-19 US disclosed
EP-2208727-A1 Diaryl ethers as opioid receptor antagonist Eli Lilly & Company (US) 2010-07-21 EP disclosed
US-20050080078-A1 Method of treating addiction or dependence using a ligand for a monoamine receptor or transporter SEPRACOR, INC. (US) 2005-04-14 US disclosed
WO-2004026305-A9 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONIST LILLY CO ELI (US) 2004-05-13 WO disclosed
US-20040077706-A1 Ligands for monoamine receptors and transporters, and methods of use thereof AQUILA BRIAN M (US) 2004-04-22 US disclosed
WO-2004026305-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONIST ELI LILLY AND COMPANY (US) 2004-04-01 WO disclosed
EP-1318988-A2 LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS, AND METHODS OF USE THEREOF (NEUROTRANSMISSION) Sepracor, Inc. (US) 2003-06-18 EP disclosed
US-20030050309-A1 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. 2003-03-13 US disclosed
WO-2002022572-A2 LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS, AND METHODS OF USE THEREOF (NEUROTRANSMISSION) SEPRACOR, INC. (US) 2002-03-21 WO disclosed
US-5190958-A Fungicides SHELL RESEARCH LIMITED (GB) 1993-03-02 US disclosed
CN-1052856-A Piperidine derivative SHELL INT RESEARCH (NL) 1991-07-10 CN disclosed
EP-0435387-A1 Piperidine derivatives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-07-03 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-20050080078-A1 Method of treating addiction or dependence using a ligand for a monoamine receptor or transporter PNMT, TAAR1, OPRL1 KMT2A 393/4885HRH4 479/4885HRH3 532/4885
US-20030050309-A1 Ligands for monoamine receptors and transporters, and methods of use thereof SLC6A2, OPRL1, SLC18A2 KMT2A 2763/4885HRH4 129/4885HRH3 154/4885
US-20040077706-A1 Ligands for monoamine receptors and transporters, and methods of use thereof SLC6A2, OPRL1, SLC18A2 KMT2A 2763/4885HRH4 129/4885HRH3 154/4885

“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.