SCHEMBL20183285

SCHEMBL20183285

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

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 9/20 0.70
DRD2 P14416 8/20 0.70
SIGMAR1 Q99720 1/20 0.65
BACE1 P56817 3/20 0.64
BCHE P06276 2/20 0.64
ACHE P22303 2/20 0.64
DPP7 Q9UHL4 1/20 0.63
MCHR1 Q99705 1/20 0.62
DRD3 P35462 1/20 0.60
KMT2A Q03164 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
POLB P06746 1/20 0.60
MC4R P32245 1/20 0.60

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
SCHEMBL17961749 1.00 DRD4 (0.70) DRD4DRD2SIGMAR1BACE1BCHE
SCHEMBL19614234 1.00 DRD4 (0.70) DRD4DRD2SIGMAR1BACE1BCHE
Oxalic Acid SCHEMBL1624809 0.97 DRD4 (0.67) DRD4DRD2SIGMAR1BACE1BCHE
SCHEMBL239527 0.92 DRD4 (0.71) DRD4DRD2SIGMAR1BACE1BCHE
SCHEMBL239528 0.92 DRD4 (0.71) DRD4DRD2SIGMAR1BACE1BCHE
SCHEMBL5143427 0.91 ALDH1A1 (0.60) DRD4DRD2BCHEDPP7DRD3
SCHEMBL1623588 0.91 ALDH1A1 (0.60) DRD4DRD2BCHEDPP7DRD3
SCHEMBL2425554 0.91 SIGMAR1 (0.78) DRD4DRD2SIGMAR1DPP7MCHR1
Hydrochloric Acid SCHEMBL21410212 0.89 SIGMAR1 (0.76) DRD4DRD2SIGMAR1DPP7MCHR1
SCHEMBL1781392 0.88 DRD4 (0.67) DRD4DRD2SIGMAR1BACE1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 DRD4 4869/4885DRD2 4763/4885SIGMAR1 535/4885
US-20180237440-A1 JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF JAK1, JAK2, JAK3 DRD4 4819/4885DRD2 4676/4885SIGMAR1 367/4885

“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.