SCHEMBL9963348

SCHEMBL9963348

CC(C)C(C)c1ncccc1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.38
CHRM1 P11229 1/20 0.38
HRH1 P35367 1/20 0.38
KCNH2 Q12809 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 4/20 0.32
MPI P34949 1/20 0.32
CNR1 P21554 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDK2 Q15119 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MET P08581 1/20 0.31
NPC1 O15118 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
NAPRT Q6XQN6 1/20 0.31
CTH P32929 1/20 0.30

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
SCHEMBL9963324 0.85 CYP2D6 (0.40) CYP2D6CHRM1HRH1KCNH2TRPM8
SCHEMBL22623952 0.80 TRPM8 (0.39) CYP2D6CHRM1HRH1KCNH2TRPM8
SCHEMBL442860 0.80 TRPM8 (0.39) CYP2D6CHRM1HRH1KCNH2TRPM8
SCHEMBL12363971 0.80 TRPM8 (0.39) CYP2D6CHRM1HRH1KCNH2TRPM8
SCHEMBL25211250 0.79 TRPM8 (0.41) CYP2D6CHRM1HRH1KCNH2TRPM8
SCHEMBL20738494 0.79 CYP2D6 (0.38) CYP2D6CHRM1HRH1KCNH2TRPM8
SCHEMBL20738495 0.79 CYP2D6 (0.38) CYP2D6CHRM1HRH1KCNH2TRPM8
SCHEMBL1858360 0.79 TRPM8 (0.41) CYP2D6CHRM1HRH1KCNH2TRPM8
SCHEMBL506640 0.79 TRPM8 (0.41) CYP2D6CHRM1HRH1KCNH2TRPM8
SCHEMBL6961060 0.79 CYP2D6 (0.38) CYP2D6CHRM1HRH1KCNH2TRPM8

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-20220056022-A1 RAD51 INHIBITORS CYTEIR THERAPEUTICS, INC. 2022-02-24 US disclosed
US-11001579-B2 Ferroportin inhibitors VIFOR (INTERNATIONAL) AG (CH) 2021-05-11 US disclosed
US-20200397760-A1 METHODS OF USING RAD51 INHIBITORS FOR TREATMENT OF PANCREATIC CANCER CYTEIR THERAPEUTICS, INC. 2020-12-24 US disclosed
US-20190345151-A1 Novel Ferroportin Inhibitors VIFOR (INTERNATIONAL) AG (CH) 2019-11-14 US disclosed
US-10364239-B2 Ferroportin inhibitors VIFOR (INTERNATIONAL) AG (CH) 2019-07-30 US disclosed
US-8354403-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-8354403-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 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-20190345151-A1 Novel Ferroportin Inhibitors HAMP, SLC40A1, HMOX1 CYP2D6 278/4885CHRM1 4844/4885HRH1 732/4885
US-20200397760-A1 METHODS OF USING RAD51 INHIBITORS FOR TREATMENT OF PANCREATIC CANCER RAD51, MRE11, RAD52 CYP2D6 4557/4885CHRM1 4871/4885HRH1 2338/4885
US-11001579-B2 Ferroportin inhibitors HAMP, SLC40A1, FTH1 CYP2D6 264/4885CHRM1 4848/4885HRH1 863/4885
US-20220056022-A1 RAD51 INHIBITORS RAD51, MRE11, RAD54L CYP2D6 3798/4885CHRM1 4808/4885HRH1 1486/4885
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 CYP2D6 1147/4885CHRM1 77/4885HRH1 316/4885
US-10364239-B2 Ferroportin inhibitors HAMP, SLC40A1, HMOX1 CYP2D6 276/4885CHRM1 4832/4885HRH1 845/4885

“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.