SCHEMBL22609010

SCHEMBL22609010

O=S(=O)(CC1CCC1)Nc1cccc(C2CCNC2)c1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.41
ALOX12 P18054 1/20 0.40
ACLY P53396 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
GAK O14976 1/20 0.38
STK16 O75716 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
BMP2K Q9NSY1 1/20 0.38
HTR2C P28335 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
SCHEMBL22608971 0.80 OPRM1 (0.49) JAK3ALOX12DRD2DRD3HTR2C
SCHEMBL22619016 0.75 ACLY (0.44) ACLYGAKSTK16AAK1BMP2K
SCHEMBL22608967 0.74 DRD2 (0.53) DRD2
SCHEMBL17404463 0.74 ACLY (0.53) ACLY
SCHEMBL20632836 0.73 HTR2C (0.50) JAK3DRD2DRD3HTR2C
SCHEMBL16834995 0.72 HTR2C (0.54) JAK3ALOX12HTR2C
SCHEMBL1546191 0.72 ALOX12 (0.50) ALOX12DRD2DRD3
SCHEMBL22928004 0.72 ACLY (0.42) ALOX12ACLYGAKSTK16AAK1
SCHEMBL4195766 0.71 HTR2C (0.53) HTR2C
SCHEMBL4206291 0.71 HTR2C (0.53) HTR2C

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 JAK3 2191/4885ALOX12 2358/4885ACLY 4603/4885

“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.