SCHEMBL17679887

SCHEMBL17679887

C=C1CCCN1C1CCN(C(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.34
▸ PARP2 Q9UGN5 1/20 0.34
▸ HRH3 Q9Y5N1 10/20 0.34
▸ NOS3 P29474 1/20 0.32
▸ NOS1 P29475 1/20 0.32
▸ CHRNA7 P36544 1/20 0.32
▸ MBTD1 Q05BQ5 1/20 0.31
▸ L3MBTL3 Q96JM7 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
SCHEMBL18685321 0.79 NOS3 (0.35) PARP2NOS3NOS1L3MBTL3
SCHEMBL10232786 0.79 KDM5A (0.41) PARP1PARP2HRH3
SCHEMBL13955039 0.77 NOS1 (0.43) NOS3NOS1
SCHEMBL26450581 0.76 HRH3 (0.33) HRH3
SCHEMBL26450611 0.76 HRH3 (0.33) HRH3
SCHEMBL26450657 0.76 HRH3 (0.33) HRH3
SCHEMBL22596444 0.74 NOS3 (0.34) PARP2NOS3NOS1L3MBTL3
SCHEMBL8286917 0.74 PARP1 (0.39) PARP1PARP2HRH3
SCHEMBL18217037 0.71 — —
SCHEMBL8275622 0.71 OPRM1 (0.54) PARP1PARP2

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-9718803-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. (US) 2017-08-01 — — US disclosed
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2016-04-14 — — 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-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A PARP1 1530/4885PARP2 3019/4885HRH3 3292/4885

“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.

Send feedback