SCHEMBL749969

SCHEMBL749969

CO[C@@H]1CCCN(C(C)C)C1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.37
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
HRH3 Q9Y5N1 4/20 0.34
KCNH2 Q12809 1/20 0.32
KAT2B Q92831 1/20 0.32
DPP4 P27487 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
MAP4K4 O95819 1/20 0.31
PARP1 P09874 2/20 0.31

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
SCHEMBL12026428 1.00 KDM2B (0.37) KDM2BDRD2DRD3HRH3KCNH2
SCHEMBL21476048 1.00 KDM2B (0.37) KDM2BDRD2DRD3HRH3KCNH2
SCHEMBL9963119 0.87 HRH3 (0.38) HRH3
SCHEMBL9963118 0.87 HRH3 (0.38) HRH3
SCHEMBL8121510 0.87 HRH3 (0.38) HRH3
SCHEMBL24742927 0.83 HRH3 (0.41) HRH3
SCHEMBL20711867 0.82 DRD2 (0.34) KDM2BDRD2DRD3HRH3KAT2B
SCHEMBL17827390 0.82 DRD2 (0.34) KDM2BDRD2DRD3HRH3KAT2B
SCHEMBL21204683 0.81 DPP4 (0.32) HRH3DPP4DPP7
SCHEMBL4047010 0.80 KDM4E (0.32) HRH3DPP4DPP7MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348452-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-11-02 US disclosed
US-20230227466-A1 SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, LLC 2023-07-20 US disclosed
US-20230227466-A1 SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, LLC 2023-07-20 US disclosed
US-20220315568-A1 INHIBITORS OF SARM1 DISARM THERAPEUTICS, INC. 2022-10-06 US disclosed
WO-2021257828-A1 SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, LLC (US) 2021-12-23 WO disclosed
US-10759756-B2 Antagonists of human integrin α4β7 MORPHIC THERAPEUTIC, INC. (US) 2020-09-01 US disclosed
US-20190315692-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2019-10-17 US disclosed
US-8138204-B2 Emesis, dyspepsia, gastroparesis, constipation, gastroesophageal reflux, or post-operative ileus; cisapride analogs; side effect reduction of adverse events; (R)-quinuclidin-3-yl 6-((3S,4R)-4-(4-amino-5-chloro-2-methoxybenzamido)-3-methoxypiperidin-1-yl)hexanoate or salts ARYX THERAPEUTICS, INC. (US) 2012-03-20 US disclosed
US-20080085921-A1 Stereoisomeric Compounds And Methods For The Treatment Of Gastrointestinal And Central Nervous System Disorders ARYX THERAPEUTICS (US) 2008-04-10 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 (6 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-20080085921-A1 Stereoisomeric Compounds And Methods For The Treatment Of Gastrointestinal And Central Nervous System Disorders CCKBR, GRPR, HRH2 KDM2B 4267/4885DRD2 952/4885DRD3 967/4885
US-20190315692-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 KDM2B 3334/4885DRD2 2407/4885DRD3 2605/4885
US-20230348452-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, BRCA1 KDM2B 1848/4885DRD2 4609/4885DRD3 4607/4885
US-10759756-B2 Antagonists of human integrin α4β7 ITGB7, ITGB4, ITGA4 KDM2B 2735/4885DRD2 3659/4885DRD3 3639/4885
US-20220315568-A1 INHIBITORS OF SARM1 SARM1, SMN1; SMN2, SARNP KDM2B 4068/4885DRD2 4132/4885DRD3 4147/4885
US-20230227466-A1 SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE KRAS, G3BP1, NRAS KDM2B 4013/4885DRD2 4852/4885DRD3 4833/4885

“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.