SCHEMBL17604146

SCHEMBL17604146

O=c1[nH]c(CNCCCl)nc2c(C3CCCC3)n[nH]c12

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 1/20 0.31
▸ ADORA2A P29274 1/20 0.30
▸ ADORA2B P29275 1/20 0.30
▸ PDE5A O76074 1/20 0.30
▸ PDE1A P54750 1/20 0.30
▸ PDE1B Q01064 1/20 0.30
▸ PDE3B Q13370 1/20 0.30
▸ PDE1C Q14123 1/20 0.30
▸ PDE3A Q14432 1/20 0.30

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
SCHEMBL17604244 0.79 ADORA1 (0.35) ADORA1ADORA2AADORA2BPDE1C
SCHEMBL17604167 0.79 PRMT5 (0.36) ADORA1ADORA2AADORA2BPDE5APDE1A
Hydrochloric Acid SCHEMBL17604355 0.78 PRMT5 (0.35) ADORA1ADORA2AADORA2BPDE5APDE1A
SCHEMBL6366943 0.78 ADORA2A (0.38) ADORA1ADORA2AADORA2BPDE5APDE1A
SCHEMBL6365300 0.77 ADORA1 (0.41) ADORA1ADORA2AADORA2BPDE5APDE1A
SCHEMBL6365678 0.76 TSHR (0.39) ADORA1ADORA2AADORA2BPDE5APDE1A
SCHEMBL6366291 0.73 PDE9A (0.46) ADORA1ADORA2AADORA2BPDE5APDE1A
SCHEMBL6366219 0.73 ADORA1 (0.43) ADORA1ADORA2AADORA2BPDE5APDE1A
SCHEMBL6371104 0.73 MEN1 (0.40) PDE5APDE1APDE1BPDE1C
SCHEMBL6366319 0.72 KDM4E (0.48) PDE1APDE1BPDE1C

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 ADORA1 2644/4885ADORA2A 1325/4885ADORA2B 2917/4885

“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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