SCHEMBL22608967

SCHEMBL22608967

O=S(=O)(CC1CCC1)Nc1cccc(C2CCN(Cc3ccccc3)C2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.53
OPRM1 P35372 1/20 0.44
HTR2A P28223 1/20 0.44
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
CHRM4 P08173 3/20 0.43
CCR3 P51677 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
MAOB P27338 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PARP1 P09874 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
SCHEMBL28585342 0.89 ACLY (0.47) DRD2ALDH1A1POLBMEN1KMT2A
SCHEMBL22608985 0.83 DRD2 (0.57) DRD2OPRM1HTR2AALDH1A1CHRM4
SCHEMBL22609018 0.82 DRD2 (0.55) DRD2ALDH1A1BCHEACHE
SCHEMBL22619198 0.79 DRD2 (0.51) DRD2CHRM4CCR3BCHEACHE
SCHEMBL22619159 0.78 DRD2 (0.57) DRD2ALDH1A1BCHEACHE
SCHEMBL4202249 0.75 DRD2 (0.53) DRD2ALDH1A1CHRM4
SCHEMBL22609010 0.74 JAK3 (0.41) DRD2
SCHEMBL22619066 0.74 DRD2 (0.56) DRD2CHRM4BCHEACHEMEN1
SCHEMBL4193182 0.73 DRD2 (0.51) DRD2OPRM1CHRM4BCHEACHE
SCHEMBL22755777 0.72 MEN1 (0.68) DRD2CCR3BCHEACHEMEN1

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 2/4885OPRM1 296/4885HTR2A 77/4885

“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.