SCHEMBL20008485

SCHEMBL20008485

CC(C)Cc1ccc2c(c1)Nc1ccc(CC(C)C)cc1N2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.47
GABRB2 P47870 1/20 0.47
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
GPR84 Q9NQS5 1/20 0.39
PTGS2 P35354 4/20 0.37
PTGS1 P23219 3/20 0.37
LMNA P02545 3/20 0.37
CYP2C9 P11712 3/20 0.37
ESR1 P03372 3/20 0.37
AKR1C3 P42330 2/20 0.37
CXCR1 P25024 2/20 0.37
CXCR2 P25025 2/20 0.37
ALOX5 P09917 2/20 0.37
NFKB1 P19838 2/20 0.37
HTR2A P28223 2/20 0.37
BLM P54132 2/20 0.37
PMP22 Q01453 2/20 0.37

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
SCHEMBL24806246 1.00 GABRA1 (0.47) GABRA1GABRB2MEN1KMT2APOLB
SCHEMBL19485771 0.89 HTR2A (0.42) GABRA1GABRB2MEN1KMT2APOLB
SCHEMBL22536330 0.89 HTR2A (0.42) GABRA1GABRB2MEN1KMT2APOLB
SCHEMBL21297470 0.84 GABRA1 (0.39) GABRA1GABRB2MEN1KMT2APOLB
SCHEMBL13532277 0.81 MEN1 (0.39) GABRA1GABRB2MEN1KMT2APOLB
SCHEMBL22536331 0.80 GABRA1 (0.39) GABRA1GABRB2MEN1KMT2APOLB
SCHEMBL19485809 0.80 HTR2A (0.49) GABRA1GABRB2MAPTHTR2AMAPK1
SCHEMBL19492401 0.78 GABRA1 (0.43) GABRA1GABRB2MEN1KMT2APOLB
SCHEMBL19346233 0.78 GABRA1 (0.43) GABRA1GABRB2MEN1KMT2APOLB
SCHEMBL13343333 0.77 MEN1 (0.39) GABRA1GABRB2MEN1KMT2APOLB

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-20210317213-A1 Anti-CD3 Antibody Folate Bioconjugates and Their Uses AMBRX, INC. (US) 2021-10-14 US disclosed
US-10800856-B2 Prostate-specific membrane antigen antibody drug conjugates AMBRX, INC. (US) 2020-10-13 US disclosed
US-10710065-B2 Polymeric materials for electrochemical cells and ion separation processes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-07-14 US disclosed
US-20180085744-A1 POLYMERIC MATERIALS FOR ELECTROCHEMICAL CELLS AND ION SEPARATION PROCESSES UNITED STATES DEPARTMENT OF ENERGY 2018-03-29 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-20210317213-A1 Anti-CD3 Antibody Folate Bioconjugates and Their Uses FOLR2, FOLR1, CD2 GABRA1 680/4885GABRB2 762/4885MEN1 2830/4885
US-20180085744-A1 POLYMERIC MATERIALS FOR ELECTROCHEMICAL CELLS AND ION SEPARATION PROCESSES ALG1, MLEC, MSN GABRA1 3823/4885GABRB2 4006/4885MEN1 939/4885
US-10800856-B2 Prostate-specific membrane antigen antibody drug conjugates KLK3, PTMS, DDOST GABRA1 2205/4885GABRB2 3513/4885MEN1 1371/4885
US-10710065-B2 Polymeric materials for electrochemical cells and ion separation processes ALG1, MLEC, MSN GABRA1 3823/4885GABRB2 4006/4885MEN1 939/4885

“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.