SCHEMBL19056873

SCHEMBL19056873

CCCCc1ccc2ccc3c(c2n1)NC(C)CC3

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 3/20 0.38
▸ KCNH2 Q12809 1/20 0.33
▸ DRD2 P14416 1/20 0.31
▸ DRD1 P21728 1/20 0.31

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
SCHEMBL19056890 0.86 KCNH2 (0.32) KCNH2DRD2DRD1
SCHEMBL19056872 0.85 KCNH2 (0.31) KCNH2
SCHEMBL19056900 0.76 CCR1 (0.42) PDE10AKCNH2DRD2DRD1
SCHEMBL19056878 0.76 ITGAV (0.41) PDE10A
SCHEMBL19056884 0.76 PARP1 (0.32) —
SCHEMBL30459407 0.72 CCR1 (0.54) PDE10AKCNH2
SCHEMBL30285975 0.72 CCR1 (0.54) PDE10AKCNH2
SCHEMBL432244 0.72 CCR1 (0.54) PDE10AKCNH2
SCHEMBL19056875 0.71 SLC40A1 (0.45) —
SCHEMBL10338656 0.70 KCNH2 (0.55) PDE10AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106573941-B Novel 4th group transition metal compound and application thereof 韩华化学株式会社 2019-07-12 — — CN disclosed
EP-3187499-B1 NOVEL GROUP 4 TRANSITION METAL COMPOUND AND USE THEREOF HANWHA CHEMICAL CORP (KR) 2019-04-24 — — EP disclosed
US-10160775-B2 Group 4 transition metal compound and use thereof HANWHA CHEMICAL CORPORATION (KR) 2018-12-25 — — US disclosed
US-20170233415-A1 NOVEL GROUP 4 TRANSITION METAL COMPOUND AND USE THEREOF HANWHA CHEMICAL CORPORATION (KR) 2017-08-17 — — US disclosed
EP-3187499-A1 NOVEL GROUP 4 TRANSITION METAL COMPOUND AND USE THEREOF Hanwha Chemical Corporation (KR) 2017-07-05 — — 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-20170233415-A1 NOVEL GROUP 4 TRANSITION METAL COMPOUND AND USE THEREOF TRPV4, TRPM4, MORF4L1 PDE10A 4852/4885KCNH2 1578/4885DRD2 1185/4885
US-10160775-B2 Group 4 transition metal compound and use thereof TRPV4, TRPM4, MORF4L1 PDE10A 4857/4885KCNH2 1018/4885DRD2 1422/4885

“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.

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