SCHEMBL22608968

SCHEMBL22608968

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

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.60
DRD4 P21917 3/20 0.60
DRD3 P35462 3/20 0.60
CYP2D6 P10635 2/20 0.54
SOS1 Q07889 2/20 0.49
KRAS P01116 1/20 0.49
BCHE P06276 2/20 0.49
MCHR1 Q99705 1/20 0.48
HTR6 P50406 1/20 0.47
ACHE P22303 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
HTR1A P08908 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
HTR1F P30939 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL22619109 0.87 DRD2 (0.66) DRD2DRD4DRD3CYP2D6SOS1
SCHEMBL22609031 0.85 DRD2 (0.60) DRD2DRD4DRD3CYP2D6SOS1
SCHEMBL22619232 0.84 DRD2 (0.62) DRD2DRD4DRD3CYP2D6SOS1
SCHEMBL22619190 0.84 DRD2 (0.59) DRD2DRD4DRD3CYP2D6SOS1
SCHEMBL22609017 0.84 DRD2 (0.59) DRD2DRD4DRD3CYP2D6SOS1
SCHEMBL22619089 0.82 DRD2 (0.62) DRD2DRD4DRD3CYP2D6SOS1
SCHEMBL22619132 0.82 DRD2 (0.65) DRD2DRD4DRD3CYP2D6SOS1
SCHEMBL22608988 0.81 DRD2 (0.67) DRD2DRD4DRD3CYP2D6BCHE
SCHEMBL22619130 0.81 DRD2 (0.60) DRD2DRD4DRD3CYP2D6SOS1
SCHEMBL22619026 0.80 DRD2 (0.87) 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 6 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
CN-109956931-A Tetrahydropyrrole compound, preparation method, pharmaceutical composition and purposes 迈第康(上海)生物医药科技有限公司 2019-07-02 CN 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.