SCHEMBL22928093

SCHEMBL22928093

CNc1cccc(C(C)(C)C)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.41
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
POLB P06746 3/20 0.38
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
MAPT P10636 4/20 0.36
TDP1 Q9NUW8 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
RECQL P46063 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 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
SCHEMBL2590517 0.82 P2RX7 (0.49) KMT2AMEN1POLBTDP1ALDH1A1
SCHEMBL3788998 0.79 MAPT (0.44) KMT2AMEN1POLBMAPTTDP1
SCHEMBL2199206 0.79 CA2 (0.55) CA2KMT2AMEN1GABRA1GABRB2
SCHEMBL4079663 0.78 POLB (0.50) CA2KMT2AMEN1POLBMAPT
SCHEMBL13145693 0.77 ALDH1A1 (0.55) KMT2AMEN1POLBMAPTTDP1
Hydrochloric Acid SCHEMBL2861569 0.76 POLB (0.49) CA2KMT2AMEN1POLBMAPT
SCHEMBL5486786 0.75 CA2 (0.64) CA2KMT2AMEN1POLBGABRA1
SCHEMBL19532816 0.75 CA2 (0.41) CA2KMT2AMEN1POLBGABRA1
SCHEMBL19785374 0.73 CA2 (0.48) CA2KMT2AMEN1GABRA1GABRB2
SCHEMBL5914549 0.73 MEN1 (0.50) KMT2AMEN1POLBMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210024498-A1 TETRAHYDROPYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF MEDICONNS SHANGHAI BIOPHARMACEUTICAL CO LTD (CN) 2021-01-28 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 (1 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-20210024498-A1 TETRAHYDROPYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF PRLHR, DRD2, AVPR2 CA2 4758/4885KMT2A 3306/4885MEN1 2812/4885

“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.