SCHEMBL22928009

SCHEMBL22928009

CCCC(C)(C)c1cccc(NS(=O)(=O)c2cnc[nH]2)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
KMT2A Q03164 5/20 0.47
ADRA1A P35348 2/20 0.43
ADRA2A P08913 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.38
ALDH1A1 P00352 1/20 0.37
NFKB1 P19838 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 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
SCHEMBL22928011 0.77 KMT2A (0.42) LMNAKMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL22619002 0.76 LMNA (0.71) LMNAKMT2AADRA1AADRA2ANPSR1
SCHEMBL21652254 0.76 KIF11 (0.47) SMN1; SMN2CYP3A4CYP2C19CYP1A2HTT
SCHEMBL21998702 0.76 NR3C2 (0.51) LMNAADRA1AADRA2ASMN1; SMN2CYP3A4
SCHEMBL21652308 0.73 HTT (0.49) KMT2ASMN1; SMN2MEN1HTTALDH1A1
SCHEMBL7595633 0.68 LMNA (0.74) LMNAKMT2ANPSR1SMN1; SMN2TSHR
SCHEMBL20372223 0.67 ALDH1A1 (0.40) LMNAKMT2ANPSR1SMN1; SMN2CYP3A4
SCHEMBL20366361 0.66 RAB9A (0.54) LMNAKMT2ASMN1; SMN2CYP1A2MEN1
SCHEMBL18649037 0.65 KIF11 (0.49) LMNASMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL18649047 0.65 NR3C2 (0.54) LMNAADRA1AADRA2ASMN1; SMN2CYP3A4

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 LMNA 4782/4885KMT2A 3306/4885ADRA1A 125/4885

“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.