SCHEMBL797703

SCHEMBL797703

Cc1cnn(C2CCCCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.46
OGA O60502 1/20 0.44
PSMB8 P28062 1/20 0.41
PSMB9 P28065 1/20 0.41
RIPK1 Q13546 1/20 0.41
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
CYP2D6 P10635 2/20 0.38
HRH1 P35367 2/20 0.38
KCNH2 Q12809 1/20 0.38
BMPR1A P36894 2/20 0.36
ACVRL1 P37023 2/20 0.36
ACVR1 Q04771 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
KDM4C Q9H3R0 2/20 0.35
MPO P05164 1/20 0.34

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
SCHEMBL13465804 0.98 ACHE (0.47) ACHEOGAPSMB8PSMB9RIPK1
SCHEMBL13432197 0.94 OGA (0.45) ACHEOGAPSMB8PSMB9RIPK1
SCHEMBL255397 0.90
SCHEMBL19544329 0.87 ACHE (0.38) ACHEOGAPSMB8PSMB9RIPK1
SCHEMBL19485452 0.86 ACHE (0.38) ACHEOGAPSMB8PSMB9RIPK1
SCHEMBL23865945 0.85 OGA (0.43) ACHEOGACHRNB2CHRNA4JAK2
SCHEMBL19807118 0.85 ACHE (0.39) ACHEOGAPSMB8PSMB9RIPK1
SCHEMBL22296398 0.82 MAPT (0.41) ACHEOGAPSMB8PSMB9CHRNB2
SCHEMBL23022259 0.81 OGA (0.42) ACHEOGACHRNB2CHRNA4JAK2
SCHEMBL10100701 0.81 OGA (0.45) OGACHRNB2CHRNA4JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3958867-B1 SMALL MOLECULE BROMODOMAIN INHIBITORS AND USES THEREOF CONVERGENE LLC (US) 2024-06-26 EP disclosed
US-11912708-B2 Macrocyclic heterocycles and uses thereof KUMQUAT BIOSCIENCES INC. (US) 2024-02-27 US disclosed
US-20240025858-A1 CANNABINOID DERIVATIVES AS PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHOD OF PREPARATION THEREOF JAZZ PHARMACEUTICALS RESEARCH UK LIMITED (GB) 2024-01-25 US disclosed
WO-2024020458-A1 METHOD OF TREATING ORGAN DISEASES OR DISORDERS WITH ASK1 INHIBITORS Seal Rock Therapeutics, Inc. (US) 2024-01-25 WO disclosed
WO-2023141511-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2023-07-27 WO disclosed
EP-3336090-B1 IRAK4 INHIBITOR AND USE THEREOF BEIJING HANMI PHARMACEUTICAL CO LTD (CN) 2020-07-22 EP disclosed
EP-3336090-A1 IRAK4 INHIBITOR AND USE THEREOF Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2018-06-20 EP disclosed
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 US disclosed
US-8916593-B2 Alkoxy-substituted 2-aminopyridines as ALK inhibitors PFIZER INC. (US) 2014-12-23 US disclosed
US-8802663-B2 Pyrazole oxadiazole derivatives as S1P1 agonists MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-20130196952-A1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER INC. (US) 2013-08-01 US disclosed
US-8367662-B2 Organic compounds NOVARTIS AG (CH) 2013-02-05 US disclosed
US-20120071460-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS MERCK SERONO SA (CH) 2012-03-22 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 (5 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-11912708-B2 Macrocyclic heterocycles and uses thereof HRAS, KRAS, TP53 ACHE 4858/4885OGA 2234/4885PSMB8 3236/4885
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 ACHE 3868/4885OGA 2409/4885PSMB8 2297/4885
US-20120071460-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS S1PR1, S1PR3, S1PR2 ACHE 3634/4885OGA 4258/4885PSMB8 3577/4885
US-20240025858-A1 CANNABINOID DERIVATIVES AS PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHOD OF PREPARATION THEREOF CNR1, CNR2, FAAH ACHE 73/4885OGA 1743/4885PSMB8 4205/4885
US-20130196952-A1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES ALK, ETV6, ACVR1 ACHE 4528/4885OGA 1773/4885PSMB8 4221/4885

“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.