SCHEMBL3153019

SCHEMBL3153019

NC(=O)CCN1CCN(c2cccnc2Cl)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 4/20 0.49
▸ GAA P10253 2/20 0.48
▸ GFER P55789 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ HTR7 P34969 3/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ DRD4 P21917 1/20 0.42

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
SCHEMBL27874051 0.79 DRD2 (0.45) HTR1AGAAGFERALDH1A1L3MBTL1
SCHEMBL8343540 0.79 HTR1A (0.65) HTR1AALDH1A1HTR7DRD2HTR2A
SCHEMBL3156525 0.77 HTR1A (0.48) HTR1AHTR7DRD2HTR2A
Hydrochloric Acid SCHEMBL3156545 0.77 HTR1A (0.54) HTR1AALDH1A1HTR7DRD2HTR2A
SCHEMBL27874050 0.77 GAA (0.40) HTR1AGAAGFERALDH1A1L3MBTL1
SCHEMBL3153025 0.76 ADRA1A (0.46) HTR1AGAAGFERALDH1A1L3MBTL1
SCHEMBL3153010 0.75 ADRA1A (0.45) HTR1AGAAGFERALDH1A1L3MBTL1
SCHEMBL6961329 0.75 NPC1 (0.60) HTR1AALDH1A1L3MBTL1HTR7
SCHEMBL3436467 0.75 OPRM1 (0.55) HTR1AALDH1A1HTR7DRD2DRD4
SCHEMBL1867299 0.75 CACNA1G (0.65) HTR1AHTR7DRD2HTR2ADRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075976-A1 SUBSTITUTED PIPERAZINYL PYRAZINES AND PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-03-25 — — 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-20100075976-A1 SUBSTITUTED PIPERAZINYL PYRAZINES AND PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS HTR7, HTR1A, HTR2C HTR1A 2/4885GAA 4885/4885GFER 2974/4885

“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