SCHEMBL21157892

SCHEMBL21157892

CC(C)N1CCOC(CC(C)N2CCN(C)CC2)C1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.45
CCR2 P41597 1/20 0.33
KCNH2 Q12809 1/20 0.33
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
DRD3 P35462 1/20 0.32
HTR2B P41595 1/20 0.32
ERBB2 P04626 1/20 0.30
EPHA2 P29317 1/20 0.30
KDR P35968 1/20 0.30
EPHB4 P54760 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
SCHEMBL22893242 0.87 HRH3 (0.47) HRH3CCR2KCNH2CHRM2HTR1A
SCHEMBL24700866 0.87 HRH3 (0.47) HRH3CCR2KCNH2CHRM2HTR1A
SCHEMBL21169576 0.86 HRH3 (0.36) HRH3
SCHEMBL23473513 0.86 HRH3 (0.36) HRH3
SCHEMBL26194411 0.86 HRH3 (0.46) HRH3CCR2KCNH2CHRM2HTR1A
SCHEMBL23920781 0.85 HRH3 (0.43) HRH3CCR2KCNH2CHRM2HTR1A
SCHEMBL24599424 0.84 HRH3 (0.42) HRH3CCR2KCNH2
SCHEMBL25872792 0.83 HRH3 (0.44) HRH3CCR2KCNH2CHRM2HTR1A
SCHEMBL24256708 0.83 HRH3 (0.44) HRH3CCR2KCNH2CHRM2HTR1A
SCHEMBL20980172 0.82 HRH3 (0.43) HRH3CCR2KCNH2CHRM2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271965-A1 BICYCLIC HETEROARENES AND METHODS OF THEIR USE YUMANITY THERAPEUTICS, INC. 2023-08-31 US disclosed
US-20230140941-A1 NON-ATP/CATALYTIC SITE P38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2023-05-11 US disclosed
US-11319323-B2 Substituted pyrazolo[4,3-H]quinazolines as protein kinase inhibitors SHENGKE PHARMACEUTICALS (JIANGSU) LTD. (CN) 2022-05-03 US disclosed
US-20210379084-A1 INHIBITORS OF GLUCOCORTICOID RECEPTOR ORIC PHARMACEUTICALS, INC. 2021-12-09 US disclosed
US-11110103-B2 Inhibitors of glucocorticoid receptor ORIC PHARMACEUTICALS, INC. (US) 2021-09-07 US disclosed
US-20210023095-A1 INHIBITORS OF GLUCOCORTICOID RECEPTOR ORIC PHARMACEUTICALS, INC. 2021-01-28 US disclosed
US-20210017219-A1 INHIBITORS OF GLUCOCORTICOID RECEPTOR ORIC PHARMACEUTICALS, INC. 2021-01-21 US disclosed
US-20200291058-A1 INHIBITORS OF GLUCOCORTICOID RECEPTOR ORIC PHARMACEUTICALS, INC. 2020-09-17 US disclosed
US-10682358-B2 Substituted 2, 3-dihydro-1H-inden-1-one retinoic acid-related orphan nuclear receptor antagonists for treating multiple sclerosis ARRIEN PHARMACEUTICALS LLC (US) 2020-06-16 US disclosed
US-20190209574-A1 SUBSTITUTED 2, 3-DIHYDRO-1H-INDEN-1-ONE RETINOIC ACID-RELATED ORPHAN NUCLEAR RECEPTOR ANTAGONISTS FOR TREATING MULTIPLE SCLEROSIS ARRIEN PHARMACEUTICALS LLC (US) 2019-07-11 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 (10 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-20230140941-A1 NON-ATP/CATALYTIC SITE P38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS MAPK1, MAPK8, MAPK4 HRH3 3499/4885CCR2 1186/4885KCNH2 4580/4885
US-10682358-B2 Substituted 2, 3-dihydro-1H-inden-1-one retinoic acid-related orphan nuclear receptor antagonists for treating multiple sclerosis RORA, RORB, RORC HRH3 611/4885CCR2 334/4885KCNH2 3505/4885
US-20210017219-A1 INHIBITORS OF GLUCOCORTICOID RECEPTOR NR3C1, NR3C2, MC2R HRH3 789/4885CCR2 1239/4885KCNH2 4579/4885
US-20230271965-A1 BICYCLIC HETEROARENES AND METHODS OF THEIR USE NLN, GRIN2C, BCHE HRH3 984/4885CCR2 3779/4885KCNH2 2132/4885
US-20210023095-A1 INHIBITORS OF GLUCOCORTICOID RECEPTOR NR3C1, NR3C2, MC2R HRH3 841/4885CCR2 1372/4885KCNH2 4479/4885
US-20210379084-A1 INHIBITORS OF GLUCOCORTICOID RECEPTOR NR3C1, NR3C2, MC2R HRH3 841/4885CCR2 1372/4885KCNH2 4479/4885
US-11319323-B2 Substituted pyrazolo[4,3-H]quinazolines as protein kinase inhibitors CDK1, CDK2, CDK3 HRH3 1792/4885CCR2 3009/4885KCNH2 2018/4885
US-20190209574-A1 SUBSTITUTED 2, 3-DIHYDRO-1H-INDEN-1-ONE RETINOIC ACID-RELATED ORPHAN NUCLEAR RECEPTOR ANTAGONISTS FOR TREATING MULTIPLE SCLEROSIS RORA, RORB, RORC HRH3 611/4885CCR2 334/4885KCNH2 3505/4885
US-20200291058-A1 INHIBITORS OF GLUCOCORTICOID RECEPTOR NR3C1, NR3C2, MC2R HRH3 789/4885CCR2 1239/4885KCNH2 4579/4885
US-11110103-B2 Inhibitors of glucocorticoid receptor NR3C1, NR3C2, MC2R HRH3 841/4885CCR2 1372/4885KCNH2 4479/4885

“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.