SCHEMBL1373687

SCHEMBL1373687

CCc1ccc(CO)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SLC5A2 P31639 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
PPARG P37231 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
PTGS1 P23219 1/20 0.33

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 SCHEMBL1890147 0.98 HRH3 (0.41) HRH3CYP1A2CYP2D6KDM4EL3MBTL1
SCHEMBL18868171 0.84 MKNK1 (0.49) HRH3NPC1RAB9ASMN1; SMN2PRMT5
SCHEMBL4140258 0.84 CCR1 (0.41) HRH3CYP1A2CYP2D6KDM4ENPC1
SCHEMBL30398570 0.84 HRH3 (0.55) HRH3CYP1A2CYP2D6KDM4EL3MBTL1
SCHEMBL487617 0.84 HRH3 (0.55) HRH3CYP1A2CYP2D6KDM4EL3MBTL1
SCHEMBL5109146 0.83 HRH3 (0.44) HRH3CYP1A2CYP2D6KDM4EL3MBTL1
SCHEMBL2380517 0.83 HRH3 (0.50) HRH3CYP1A2CYP2D6KDM4EL3MBTL1
SCHEMBL5737703 0.80 HRH3 (0.43) HRH3CYP1A2CYP2D6KDM4EL3MBTL1
SCHEMBL23199281 0.78 CCR1 (0.37) HRH3CYP1A2CYP2D6KDM4ENPC1
SCHEMBL16682705 0.78 RECQL (0.36) HRH3CYP1A2CYP2D6KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2023-05-04 US disclosed
US-10273237-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN-α responses BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-30 US disclosed
EP-2651899-B1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2017-05-31 EP disclosed
US-20170022192-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY 2017-01-26 US disclosed
US-20160060262-A1 Substituted 6,6-Fused Nitrogenous Heterocyclic Compounds and Uses Thereof GENENTECH, INC. (US) 2016-03-03 US disclosed
EP-2640722-B1 PYRAZOLOPYRIDINES AND THEIR USE AS TYK2 INHIBITORS HOFFMANN LA ROCHE (CH) 2015-11-04 EP disclosed
US-9115136-B2 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-25 US disclosed
US-8921379-B2 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-30 US disclosed
CN-102369205-B fused ring compound and use thereof TAKEDA PHARMACEUTICAL CO.,LTD. (JP) 2014-10-29 CN disclosed
CN-103788097-A Fused ring compound and application thereof TAKEDA PHARMACEUTICAL 2014-05-14 CN disclosed
US-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 US disclosed
CN-1321996-C Process for producing 2-iminopyrrolidine derivative SANITATION STUFF R & D MANAGE (JP) 2007-06-20 CN disclosed
CN-1754880-A Process for preparing 2-iminopyrrolidine derivatives EISAI CO LTD (JP) 2006-04-05 CN disclosed
CN-1243735-C 2-iminopyrrolidine derivatives EISAI CO LTD (JP) 2006-03-01 CN disclosed
CN-1733725-A Process for preparing 2-iminopyrrolidine derivatives EISAI CO LTD (JP) 2006-02-15 CN disclosed
US-20050245592-A1 2-Iminopyrrolidine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-03 US disclosed
US-20050124807-A1 oxidation of a hetero alcohol in presence od an 2,2,6,6-teraalkylpiperidin-1-oxy comound KOEI CHEMICAL CO., LTD. (JP) 2005-06-09 US disclosed
US-20050004204-A1 2-Iminopyrrolidine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-06 US disclosed
CN-1503784-A 2-iminopyrrolidine derivatives ������������ʽ���� 2004-06-09 CN disclosed
EP-1391451-A1 2-IMINOPYRROLIDINE DERIVATES Eisai Co., Ltd. (JP) 2004-02-25 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 (7 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-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF ABCG2, CYP4F8, CYP3A5 HRH3 3139/4885CYP1A2 34/4885CYP2D6 22/4885
US-20050245592-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 HRH3 8/4885CYP1A2 137/4885CYP2D6 138/4885
US-20050124807-A1 oxidation of a hetero alcohol in presence od an 2,2,6,6-teraalkylpiperidin-1-oxy comound ADH1C, ADH1A, AOX1 HRH3 559/4885CYP1A2 38/4885CYP2D6 68/4885
US-20170022192-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES IFNG, IFNAR1, TYK2 HRH3 287/4885CYP1A2 1393/4885CYP2D6 2640/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 HRH3 8/4885CYP1A2 136/4885CYP2D6 135/4885
US-20160060262-A1 Substituted 6,6-Fused Nitrogenous Heterocyclic Compounds and Uses Thereof XDH, CYP2B6, COX6B1 HRH3 572/4885CYP1A2 49/4885CYP2D6 4/4885
US-10273237-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN-α responses TYK2, IFNG, IFNAR1 HRH3 466/4885CYP1A2 784/4885CYP2D6 1545/4885

“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.