SCHEMBL22070979

SCHEMBL22070979

N#Cc1ccc2c(c1)CC(CO)CC2

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PNMT P11086 6/20 0.45
DRD2 P14416 5/20 0.45
DRD3 P35462 3/20 0.45
CYP19A1 P11511 2/20 0.42
MCHR1 Q99705 1/20 0.40
KDM1A O60341 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
ADRB3 P13945 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
SCHEMBL7387150 0.94 CYP19A1 (0.47) PNMTDRD2DRD3CYP19A1MCHR1
SCHEMBL3101907 0.87 PNMT (0.49) PNMTDRD2DRD3CYP19A1MCHR1
SCHEMBL3101900 0.87 PNMT (0.49) PNMTDRD2DRD3CYP19A1MCHR1
SCHEMBL11211912 0.76 DRD2 (0.46) PNMTDRD2DRD3CYP19A1MCHR1
SCHEMBL25554143 0.76 CYP19A1 (0.42) DRD2DRD3CYP19A1MCHR1
SCHEMBL9752117 0.76 DRD2 (0.57) PNMTDRD2DRD3KDM1A
SCHEMBL6971110 0.73 DRD2 (0.46) PNMTDRD2DRD3KDM1A
SCHEMBL11210812 0.73 CYP3A4 (0.51) PNMTDRD2DRD3CYP19A1MCHR1
SCHEMBL6570371 0.72 CYP19A1 (0.54) CYP19A1
SCHEMBL15701675 0.72 CYP19A1 (0.54) CYP19A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11365192-B2 Pyridine compound substituted with azole TAISHO PHARMACEUTICAL CO., LTD. (JP) 2022-06-21 US disclosed
US-11365192-B2 Pyridine compound substituted with azole TAISHO PHARMACEUTICAL CO., LTD. (JP) 2022-06-21 US disclosed
US-20210122741-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE TAISHO PHARMACEUTICAL CO., LTD (JP) 2021-04-29 US disclosed
US-20210122741-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE TAISHO PHARMACEUTICAL CO., LTD (JP) 2021-04-29 US disclosed
EP-3666766-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE Taisho Pharmaceutical Co., Ltd. (JP) 2020-06-17 EP disclosed
EP-3666766-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE Taisho Pharmaceutical Co., Ltd. (JP) 2020-06-17 EP disclosed
CN-110914254-A Azole-substituted pyridine compound 大正制药株式会社 2020-03-24 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 (2 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-20210122741-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE CYP2C19, CYP4A11, CYP11B1 PNMT 1090/4885DRD2 3279/4885DRD3 3268/4885
US-11365192-B2 Pyridine compound substituted with azole CYP2C19, CYP4A11, CYP11B1 PNMT 1090/4885DRD2 3279/4885DRD3 3268/4885

“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.