SCHEMBL22608998

SCHEMBL22608998

O=S(=O)(Nc1cccc(C2CCN(Cc3c[nH]c4ccccc34)C2)c1)c1cccs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.53
DRD4 P21917 2/20 0.53
DRD3 P35462 2/20 0.53
ADRB3 P13945 2/20 0.52
ADRB2 P07550 1/20 0.51
ADRB1 P08588 1/20 0.51
CYP2D6 P10635 2/20 0.43
BCHE P06276 1/20 0.43
HTR6 P50406 1/20 0.42
SCN1A P35498 1/20 0.42
SCN8A Q9UQD0 1/20 0.42
PKM P14618 2/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.41
MAPK1 P28482 1/20 0.41
BRD4 O60885 1/20 0.41
KRAS P01116 1/20 0.41

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
SCHEMBL22619076 0.88 DRD2 (0.51) DRD2DRD4DRD3ADRB3ADRB2
SCHEMBL22619173 0.87 DRD2 (0.52) DRD2DRD4DRD3CYP2D6BCHE
SCHEMBL22619141 0.86 DRD2 (0.54) DRD2DRD4DRD3CYP2D6BCHE
SCHEMBL22619221 0.86 DRD2 (0.51) DRD2DRD4DRD3CYP2D6BCHE
SCHEMBL22619175 0.85 DRD2 (0.52) DRD2DRD4DRD3CYP2D6BCHE
SCHEMBL22609031 0.85 DRD2 (0.60) DRD2DRD4DRD3CYP2D6BCHE
SCHEMBL22619043 0.84 DRD2 (0.55) DRD2DRD4DRD3CYP2D6BCHE
SCHEMBL22608975 0.84 DRD2 (0.59) DRD2DRD4DRD3CYP2D6BCHE
SCHEMBL22609017 0.84 DRD2 (0.59) DRD2DRD4DRD3CYP2D6BCHE
SCHEMBL22619051 0.82 DRD2 (0.57) DRD2DRD4DRD3CYP2D6BCHE

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
CN-109956931-B Tetrahydropyrrole compound, preparation method thereof, pharmaceutical composition and application thereof 迈第康(上海)生物医药科技有限公司 2021-07-16 CN disclosed
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
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
EP-3733670-A1 TETRAHYDROPYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF Mediconns (Shanghai) Biopharmaceutical Co., Ltd (CN) 2020-11-04 EP disclosed
EP-3733670-A1 TETRAHYDROPYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF Mediconns (Shanghai) Biopharmaceutical Co., Ltd (CN) 2020-11-04 EP 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 DRD2 2/4885DRD4 4/4885DRD3 38/4885

“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.