SCHEMBL17615940

SCHEMBL17615940

Nc1[nH]cnc1C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR2 O15552 6/20 0.36
▸ HRH4 Q9H3N8 1/20 0.34
▸ JAK2 O60674 4/20 0.34
▸ JAK1 P23458 4/20 0.34
▸ JAK3 P52333 4/20 0.34
▸ TYK2 P29597 3/20 0.34
▸ CDK2 P24941 3/20 0.33
▸ CDK1 P06493 2/20 0.33
▸ CCNB1 P14635 2/20 0.33
▸ CCNA2 P20248 2/20 0.33
▸ CCNA1 P78396 2/20 0.33
▸ TDO2 P48775 2/20 0.33
▸ CCNB2 O95067 1/20 0.33
▸ MAPK3 P27361 1/20 0.33
▸ CLK1 P49759 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ PIN1 Q13526 1/20 0.33
▸ CCNB3 Q8WWL7 1/20 0.33
▸ MAP3K5 Q99683 1/20 0.33
▸ HRH2 P25021 1/20 0.32

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
Hydrochloric Acid SCHEMBL17604086 0.98 FFAR2 (0.35) FFAR2HRH4JAK2JAK1JAK3
SCHEMBL22862502 0.75 JAK2 (0.34) HRH4JAK2JAK1JAK3TYK2
SCHEMBL8934284 0.69 CDK2 (0.57) HRH4CDK2CDK1CCNB1CCNA2
SCHEMBL29012931 0.65 FFAR2 (0.44) FFAR2TDO2HRH2HRH3
SCHEMBL22125866 0.65 — —
SCHEMBL233106 0.65 — —
SCHEMBL2909544 0.64 JAK2 (0.38) JAK2JAK1JAK3TYK2
SCHEMBL28563124 0.64 TDO2 (0.37) FFAR2JAK2JAK1JAK3TYK2
SCHEMBL21154882 0.63 HRH4 (0.39) HRH4HRH2HRH3
SCHEMBL2355700 0.62 CYP11B2 (0.40) JAK2JAK1JAK3TYK2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160083391-A1 TRICYCLIC PIPERAZINE DERIVATIVE SUNOVION PHARMACEUTICALS INC (US) 2016-03-24 — — US disclosed
US-20160083391-A1 TRICYCLIC PIPERAZINE DERIVATIVE SUNOVION PHARMACEUTICALS INC (US) 2016-03-24 — — US 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 (1 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-20160083391-A1 TRICYCLIC PIPERAZINE DERIVATIVE PDE3A, PDE5A, PDE2A FFAR2 3052/4885HRH4 3184/4885JAK2 2347/4885

“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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