SCHEMBL13329599

SCHEMBL13329599

Cc1cccc(CN2CCN(c3cnn(-c4ccccc4)c(=O)c3OCc3ccccc3)CC2)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.46
▸ TRPC5 Q9UL62 2/20 0.45
▸ ALDH1A1 P00352 5/20 0.44
▸ DCTPP1 Q9H773 4/20 0.44
▸ SMO Q99835 2/20 0.44
▸ DRD2 P14416 2/20 0.44
▸ DRD4 P21917 2/20 0.44
▸ DRD3 P35462 2/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MAPK14 Q16539 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL11943415 0.92 DRD2 (0.47) MAPTALDH1A1DCTPP1SMODRD2
SCHEMBL11943338 0.87 ALDH1A1 (0.51) MAPTALDH1A1DCTPP1DRD2DRD4
SCHEMBL14080954 0.85 ALDH1A1 (0.51) MAPTALDH1A1DCTPP1SMODRD2
SCHEMBL11943428 0.85 SMO (0.44) MAPTTRPC5ALDH1A1SMODRD2
SCHEMBL11943406 0.84 SMO (0.53) MAPTTRPC5ALDH1A1DCTPP1SMO
SCHEMBL11943401 0.84 ALDH1A1 (0.47) MAPTALDH1A1SMODRD2DRD4
SCHEMBL14082776 0.83 MAPK14 (0.44) MAPTALDH1A1DCTPP1SMODRD2
SCHEMBL11943425 0.82 SMO (0.51) MAPTTRPC5ALDH1A1DCTPP1SMO
SCHEMBL11943417 0.82 MAPK14 (0.42) MAPTSMODRD2DRD4DRD3
SCHEMBL11943403 0.81 ALDH1A1 (0.55) MAPTALDH1A1DCTPP1DRD2DRD4

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-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2010-06-24 — — 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-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 MAPT 3651/4885TRPC5 4555/4885ALDH1A1 2003/4885

“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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