SCHEMBL22536331

SCHEMBL22536331

CC(C)CC1=CNc2ccc(CC(C)C)cc2N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
CXCR1 P25024 3/20 0.34
CXCR2 P25025 3/20 0.34
LMNA P02545 2/20 0.34
CYP2C9 P11712 2/20 0.34
AKR1C3 P42330 2/20 0.34
ALB P02768 1/20 0.34
ESR1 P03372 1/20 0.34
ALOX5 P09917 1/20 0.34
RARB P10826 1/20 0.34
ADRB3 P13945 1/20 0.34
NFKB1 P19838 1/20 0.34
HTR2A P28223 1/20 0.34
NR1I3 Q14994 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
CXCL8 P10145 1/20 0.34
TSHR P16473 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
SCHEMBL20008485 0.80 GABRA1 (0.47) GABRA1GABRB2PTGS1PTGS2CXCR1
SCHEMBL24806246 0.80 GABRA1 (0.47) GABRA1GABRB2PTGS1PTGS2CXCR1
SCHEMBL22536330 0.71 HTR2A (0.42) GABRA1GABRB2HTR2AMEN1POLB
SCHEMBL19485771 0.71 HTR2A (0.42) GABRA1GABRB2HTR2AMEN1POLB
SCHEMBL21297470 0.70 GABRA1 (0.39) GABRA1GABRB2PTGS1PTGS2CXCR1
SCHEMBL19492401 0.68 GABRA1 (0.43) GABRA1GABRB2PTGS1PTGS2CXCR1
SCHEMBL19346233 0.68 GABRA1 (0.43) GABRA1GABRB2PTGS1PTGS2CXCR1
SCHEMBL13343333 0.68 MEN1 (0.39) GABRA1GABRB2MEN1POLBMAPT
SCHEMBL13532277 0.68 MEN1 (0.39) GABRA1GABRB2PTGS1PTGS2CXCR1
SCHEMBL1131597 0.63 PTGS1 (0.56) GABRA1GABRB2PTGS1PTGS2CXCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411469-A1 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACID LINKED DOLASTATIN DERIVATIVES AMBRX, INC. (US) 2022-12-29 US disclosed
US-10800856-B2 Prostate-specific membrane antigen antibody drug conjugates AMBRX, INC. (US) 2020-10-13 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 (2 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-20220411469-A1 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACID LINKED DOLASTATIN DERIVATIVES DDOST, DAD1, PTMS GABRA1 4483/4885GABRB2 4685/4885PTGS1 1295/4885
US-10800856-B2 Prostate-specific membrane antigen antibody drug conjugates KLK3, PTMS, DDOST GABRA1 2205/4885GABRB2 3513/4885PTGS1 1909/4885

“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.