SCHEMBL20183393

SCHEMBL20183393

O=C(N[C@@H]1CCN(Cc2ccccc2)C1)C1CC1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.65
DRD4 P21917 5/20 0.65
MC4R P32245 3/20 0.63
SIGMAR1 Q99720 1/20 0.60
BACE1 P56817 2/20 0.59
BCHE P06276 1/20 0.59
ACHE P22303 1/20 0.59
MCHR1 Q99705 1/20 0.59
DPP7 Q9UHL4 1/20 0.59

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
SCHEMBL15992138 1.00 DRD2 (0.65) DRD2DRD4MC4RSIGMAR1BACE1
SCHEMBL28409483 1.00 DRD2 (0.65) DRD2DRD4MC4RSIGMAR1BACE1
SCHEMBL239528 0.88 DRD4 (0.71) DRD2DRD4MC4RSIGMAR1BACE1
SCHEMBL239527 0.88 DRD4 (0.71) DRD2DRD4MC4RSIGMAR1BACE1
SCHEMBL20183285 0.87 DRD4 (0.70) DRD2DRD4MC4RSIGMAR1BACE1
SCHEMBL19614234 0.87 DRD4 (0.70) DRD2DRD4MC4RSIGMAR1BACE1
SCHEMBL17961749 0.87 DRD4 (0.70) DRD2DRD4MC4RSIGMAR1BACE1
SCHEMBL6378224 0.85 CYP2C19 (0.70) DRD2DRD4SIGMAR1DPP7
SCHEMBL7500995 0.84 DRD4 (0.67) DRD2DRD4SIGMAR1BACE1BCHE
SCHEMBL1781392 0.84 DRD4 (0.67) DRD2DRD4SIGMAR1BACE1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108137608-B Janus kinase 1 selective inhibitor and pharmaceutical application thereof 阳智化学(株) 2020-06-19 CN disclosed
US-10407430-B2 Janus kinase 1 selective inhibitor and pharmaceutical use thereof YANG JI CHEMICAL CO., LTD. (KR) 2019-09-10 US disclosed
US-20180237440-A1 JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF YANG JI CHEMICAL CO., LTD. (KR) 2018-08-23 US disclosed
EP-3327021-A1 JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF Yangji Chemical Co., Ltd. (KR) 2018-05-30 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 (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-10407430-B2 Janus kinase 1 selective inhibitor and pharmaceutical use thereof JAK1, JAK2, JAK3 DRD2 4763/4885DRD4 4869/4885MC4R 1024/4885
US-20180237440-A1 JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF JAK1, JAK2, JAK3 DRD2 4676/4885DRD4 4819/4885MC4R 1054/4885

“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.