SCHEMBL22608971

SCHEMBL22608971

O=S(=O)(Nc1cccc(C2CCNC2)c1)C1CC1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.49
JAK3 P52333 1/20 0.45
BRD4 O60885 3/20 0.45
JAK2 O60674 1/20 0.45
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
MAP2K4 P45985 2/20 0.41
MAP2K7 O14733 1/20 0.41
ALOX12 P18054 1/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL26154173 0.84 OPRM1 (0.47) OPRM1BRD4JAK2MAP2K4MAP2K7
SCHEMBL22609010 0.80 JAK3 (0.41) JAK3DRD2DRD3ALOX12HTR2C
SCHEMBL25098486 0.78 OPRM1 (0.44) OPRM1BRD4MAP2K4MAP2K7
SCHEMBL20632836 0.77 HTR2C (0.50) JAK3DRD2DRD3HTR2C
SCHEMBL16834995 0.76 HTR2C (0.54) OPRM1JAK3ALOX12HTR2C
SCHEMBL1546191 0.76 ALOX12 (0.50) DRD2DRD3ALOX12
SCHEMBL4195766 0.75 HTR2C (0.53) HTR2C
SCHEMBL4206291 0.75 HTR2C (0.53) HTR2C
SCHEMBL4195759 0.75 HTR2C (0.53) HTR2C
Hydrochloric Acid SCHEMBL16835133 0.75 HTR2C (0.55) OPRM1JAK3ALOX12HTR2C

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 OPRM1 296/4885JAK3 2191/4885BRD4 2317/4885

“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.