SCHEMBL21836437

SCHEMBL21836437

COc1ccc2c(C[C@H](N)C(C)(C)C)coc2c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP11B1 P15538 3/20 0.45
CYP11B2 P19099 3/20 0.45
PIN1 Q13526 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 2/20 0.42
CYP19A1 P11511 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL21836439 1.00 MAPT (0.46) MAPTTDP1CYP11B1CYP11B2PIN1
SCHEMBL21807608 0.80 MAPT (0.45) MAPTTDP1CYP11B1CYP11B2PIN1
SCHEMBL5208631 0.79 MAPT (0.50) MAPTTDP1CYP11B1CYP11B2PIN1
SCHEMBL21836375 0.78 TDP1 (0.48) MAPTTDP1CYP11B1CYP11B2ALDH1A1
SCHEMBL21836374 0.78 TDP1 (0.48) MAPTTDP1CYP11B1CYP11B2ALDH1A1
SCHEMBL23188008 0.76 CYP11B1 (0.57) MAPTTDP1CYP11B1CYP11B2PIN1
SCHEMBL1104013 0.76 ADRA1A (0.53) MAPTTDP1CYP11B1CYP11B2PIN1
SCHEMBL1451105 0.75 KDM4E (0.53) MAPTTDP1CYP11B1CYP11B2PIN1
SCHEMBL21836362 0.74 PIN1 (0.44) MAPTTDP1PIN1ALDH1A1KDM4E
SCHEMBL21807610 0.73 MAPT (0.60) MAPTTDP1ALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11377450-B2 Functionalized heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2022-07-05 US disclosed
CN-112955142-A Functionalized heterocyclic compounds as antiviral agents 英安塔制药有限公司 2021-06-11 CN disclosed
US-20210115060-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARM INC (US) 2021-04-22 US disclosed
US-10865211-B2 Functionalized heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2020-12-15 US disclosed
US-20200095258-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2020-03-26 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-11377450-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF MAPT 4614/4885TDP1 4189/4885CYP11B1 127/4885
US-10865211-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF MAPT 4614/4885TDP1 4189/4885CYP11B1 127/4885
US-20210115060-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HAVCR2, HDGF MAPT 4614/4885TDP1 4189/4885CYP11B1 127/4885
US-20200095258-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HAVCR2, HDGF MAPT 4614/4885TDP1 4189/4885CYP11B1 127/4885

“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.