SCHEMBL21923213

SCHEMBL21923213

CC(C)Cc1ccnc2c1CCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.42
HTR2B P41595 3/20 0.42
HTR2A P28223 2/20 0.42
GRM4 Q14833 1/20 0.34
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
HPGD P15428 2/20 0.32
LNPEP Q9UIQ6 1/20 0.32
NPSR1 Q6W5P4 3/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.31
HIF1A Q16665 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL18542965 0.80 HTR2A (0.38) HTR2CHTR2BHTR2AGRM4HPGD
SCHEMBL18629743 0.77 HTR2C (0.40) HTR2CHTR2BHTR2AGRM4MAPT
SCHEMBL24469681 0.77 CHRNE (0.40) GRM4TP53MAPTLMNAGAA
SCHEMBL22337366 0.77 HTR2A (0.38) HTR2CHTR2BHTR2AGRM4GABRA1
SCHEMBL13302581 0.76 HTR2C (0.45) HTR2CHTR2BHTR2AHPGD
SCHEMBL25091477 0.75 HTR2C (0.43) HTR2CHTR2BHTR2AHPGDMAPT
SCHEMBL25820213 0.75 HTR2A (0.43) HTR2CHTR2BHTR2A
SCHEMBL25820210 0.73 HTR2A (0.49) HTR2CHTR2BHTR2A
SCHEMBL25820228 0.73 HTR2A (0.41) HTR2CHTR2BHTR2A
SCHEMBL13524880 0.73 HTR2A (0.38) HTR2CHTR2BHTR2AGRM4NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271933-A1 HETEROCYCLIC IMMUNOMODULATOR BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2023-08-31 US disclosed
US-20220135534-A1 PYRIMIDINE TRICYCLIC ENONE DERIVATIVES FOR INHIBITION OF ROR-GAMMA AND OTHER USES REATA PHARMACEUTICALS, INC. (US) 2022-05-05 US disclosed
US-20210147380-A1 CYSTEINE-DEPENDENT INVERSE AGONISTS OF NUCLEAR RECEPTORS ROR-GAMMA/ROR-GAMMA-T AND METHODS OF TREATING DISEASES OR DISORDERS THEREWITH REATA PHARMACEUTICALS, INC. (US) 2021-05-20 US disclosed
US-20200131148-A1 PYRIMIDINE TRICYCLIC ENONE DERIVATIVES FOR INHIBITION OF ROR-GAMMA AND OTHER USES REATA PHARMACEUTICALS, INC. (US) 2020-04-30 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 (4 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-20230271933-A1 HETEROCYCLIC IMMUNOMODULATOR IL2, ICOS, IL5 HTR2C 2577/4885HTR2B 3550/4885HTR2A 3121/4885
US-20210147380-A1 CYSTEINE-DEPENDENT INVERSE AGONISTS OF NUCLEAR RECEPTORS ROR-GAMMA/ROR-GAMMA-T AND METHODS OF TREATING DISEASES OR DISORDERS THEREWITH RORC, RORA, RORB HTR2C 2708/4885HTR2B 3814/4885HTR2A 2691/4885
US-20220135534-A1 PYRIMIDINE TRICYCLIC ENONE DERIVATIVES FOR INHIBITION OF ROR-GAMMA AND OTHER USES RORC, RORB, RORA HTR2C 4079/4885HTR2B 4206/4885HTR2A 4468/4885
US-20200131148-A1 PYRIMIDINE TRICYCLIC ENONE DERIVATIVES FOR INHIBITION OF ROR-GAMMA AND OTHER USES RORC, RORB, RORA HTR2C 4079/4885HTR2B 4206/4885HTR2A 4468/4885

“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.