SCHEMBL20183336

SCHEMBL20183336

c1ccc(CN2CC[C@@H](NCC3CC3)C2)cc1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BCHE P06276 14/20 0.73
BACE1 P56817 13/20 0.73
ACHE P22303 12/20 0.73
CXCR4 P61073 1/20 0.56

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
SCHEMBL8576045 1.00 BCHE (0.73) BCHEBACE1ACHECXCR4
SCHEMBL31015505 0.91 BCHE (0.61) BCHEBACE1ACHECXCR4
SCHEMBL31014655 0.87 BCHE (0.61) BCHEBACE1ACHE
SCHEMBL31014995 0.86 BCHE (0.58) BCHEBACE1ACHE
SCHEMBL9437321 0.85 ACHE (0.60) BCHEBACE1ACHECXCR4
SCHEMBL3311538 0.85 ACHE (0.68) BCHEBACE1ACHECXCR4
SCHEMBL4131291 0.84 ACHE (1.00) BCHEBACE1ACHE
SCHEMBL5692288 0.84 ACHE (1.00) BCHEBACE1ACHE
SCHEMBL28169202 0.84 CXCR4 (0.68) BCHEBACE1ACHECXCR4
SCHEMBL8186709 0.84 ACHE (0.66) BCHEBACE1ACHECXCR4

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 BCHE 4529/4885BACE1 2664/4885ACHE 4882/4885
US-20180237440-A1 JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF JAK1, JAK2, JAK3 BCHE 3320/4885BACE1 1988/4885ACHE 4872/4885

“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.