SCHEMBL20183463

SCHEMBL20183463

C[C@H](c1ccccc1)N1C[C@H](N)C(C)(C)C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.50
MC4R P32245 1/20 0.45
OPRM1 P35372 4/20 0.42
OPRK1 P41145 3/20 0.42
OPRL1 P41146 3/20 0.42
OPRD1 P41143 2/20 0.42
CCR5 P51681 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34

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
SCHEMBL3178880 1.00 CYP2D6 (0.50) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL20183363 1.00 CYP2D6 (0.50) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL20183365 1.00 CYP2D6 (0.50) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL20183464 1.00 CYP2D6 (0.50) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL3178883 1.00 CYP2D6 (0.50) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL13483618 0.83 CYP2D6 (0.49) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL3187502 0.83 CYP2D6 (0.49) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL3191047 0.80 CYP2D6 (0.46) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL3191053 0.80 CYP2D6 (0.46) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL20183317 0.78 CYP2D6 (0.47) CYP2D6MC4ROPRM1OPRK1OPRL1

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.