SCHEMBL17604061

SCHEMBL17604061

O=[N+]([O-])c1[nH]cnc1C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.39
▸ POLB P06746 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 4/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ XDH P47989 1/20 0.33
▸ RAB9A P51151 1/20 0.32
▸ GAA P10253 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KDM5B Q9UGL1 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ TYK2 P29597 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
SCHEMBL17615940 0.68 FFAR2 (0.36) JAK2JAK1TYK2JAK3
SCHEMBL22862502 0.68 JAK2 (0.34) LMNAMEN1KMT2AALDH1A1KDM5B
SCHEMBL11733107 0.68 RAB9A (0.37) LMNAMAPTSMN1; SMN2HSP90AA1CYP3A4
SCHEMBL250367 0.67 TAAR1 (0.46) TAAR1POLBLMNAMAPTTDP1
Hydrochloric Acid SCHEMBL17604086 0.67 FFAR2 (0.35) MAPTKDM4EJAK2JAK1TYK2
SCHEMBL1533571 0.66 — —
SCHEMBL4263926 0.66 — —
SCHEMBL2059056 0.66 — —
Ammonia Solution, Strong SCHEMBL29101971 0.66 TAAR1 (0.45) TAAR1POLBLMNAMAPTTDP1
SCHEMBL892031 0.66 — —

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 3 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
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 TAAR1 2204/4885POLB 399/4885LMNA 2962/4885

“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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