SCHEMBL20183371

SCHEMBL20183371

CN[C@@H]1CN(C(C)c2ccccc2)CC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.47
MC4R P32245 1/20 0.42
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
CCR5 P51681 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
NPY5R Q15761 1/20 0.34
HPGD P15428 1/20 0.33
DRD4 P21917 1/20 0.33

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
SCHEMBL20183317 1.00 CYP2D6 (0.47) CYP2D6MC4ROPRM1OPRD1OPRK1
SCHEMBL20183370 1.00 CYP2D6 (0.47) CYP2D6MC4ROPRM1OPRD1OPRK1
SCHEMBL20183314 1.00 CYP2D6 (0.47) CYP2D6MC4ROPRM1OPRD1OPRK1
SCHEMBL20183318 1.00 CYP2D6 (0.47) CYP2D6MC4ROPRM1OPRD1OPRK1
SCHEMBL769832 0.84 CYP2D6 (0.46) CYP2D6MC4ROPRM1OPRD1OPRK1
SCHEMBL20183377 0.83 CYP2D6 (0.42) CYP2D6MC4ROPRM1OPRD1OPRK1
SCHEMBL20183415 0.83 CYP2D6 (0.42) CYP2D6MC4ROPRM1OPRD1OPRK1
SCHEMBL20183378 0.83 CYP2D6 (0.42) CYP2D6MC4ROPRM1OPRD1OPRK1
SCHEMBL20183375 0.83 CYP2D6 (0.42) CYP2D6MC4ROPRM1OPRD1OPRK1
SCHEMBL20183414 0.83 CYP2D6 (0.42) CYP2D6MC4ROPRM1OPRD1OPRK1

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 CYP2D6 1311/4885MC4R 1024/4885OPRM1 1893/4885
US-20180237440-A1 JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF JAK1, JAK2, JAK3 CYP2D6 1607/4885MC4R 1054/4885OPRM1 924/4885

“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.