SCHEMBL13305352

SCHEMBL13305352

CC(C)c1cccc(C(C)C)c1NC(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2N2CCCN(Cc3ccccc3)C2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.43
▸ DGAT1 O75907 5/20 0.42
▸ DCTPP1 Q9H773 3/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAPT P10636 2/20 0.38
▸ FAAH O00519 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL11943268 0.84 DCTPP1 (0.42) CNR1DGAT1DCTPP1ALDH1A1RXFP1
SCHEMBL11943154 0.77 GLA (0.49) DGAT1DCTPP1ALDH1A1RXFP1SMN1; SMN2
SCHEMBL11943475 0.75 ALDH1A1 (0.44) CNR1DGAT1DCTPP1ALDH1A1RXFP1
SCHEMBL13304363 0.73 MAPT (0.51) DCTPP1ALDH1A1SMN1; SMN2MAPTNPSR1
SCHEMBL11943266 0.72 NPC1 (0.51) DCTPP1ALDH1A1RXFP1SMN1; SMN2MAPT
SCHEMBL11943166 0.70 NPC1 (0.51) DGAT1DCTPP1ALDH1A1SMN1; SMN2MAPT
SCHEMBL11943165 0.69 PANK3 (0.47) DCTPP1ALDH1A1SMN1; SMN2MAPTFAAH
SCHEMBL11943160 0.68 FAAH (0.56) DCTPP1ALDH1A1RXFP1SMN1; SMN2MAPT
SCHEMBL11943275 0.68 FAAH (0.52) ALDH1A1MAPTFAAHKDM4EMEN1
SCHEMBL13329125 0.68 FAAH (0.48) DCTPP1SMN1; SMN2MAPTFAAHKDM4E

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 CNR1 4506/4885DGAT1 4292/4885DCTPP1 209/4885

“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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