SCHEMBL842621

SCHEMBL842621

Cc1cccc(C(=O)NCCN2CCCCC2)c1

nearest known ligand 0.95

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.70
▸ NPSR1 Q6W5P4 1/20 0.67
▸ CACNA1G O43497 4/20 0.65
▸ CYP1A2 P05177 1/20 0.59
▸ CYP2D6 P10635 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ ERN1 O75460 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ SMYD2 Q9NRG4 1/20 0.58
▸ KMT2A Q03164 3/20 0.57
▸ MEN1 O00255 1/20 0.56
▸ MITF O75030 1/20 0.56
▸ DRD2 P14416 1/20 0.56
▸ DRD4 P21917 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ RAB9A P51151 1/20 0.56

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
SCHEMBL280088 0.99 HSD17B10 (0.72) HSD17B10NPSR1CACNA1GCYP1A2CYP2D6
SCHEMBL5482155 0.92 SMYD2 (0.68) HSD17B10NPSR1CACNA1GHPGDSMYD2
SCHEMBL279958 0.87 CYP2C19 (0.72) HSD17B10CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL10720723 0.85 HSD17B10 (0.68) HSD17B10HPGDSMYD2KMT2AMEN1
SCHEMBL13675357 0.84 PARP1 (0.58) HSD17B10NPSR1CACNA1GCYP1A2CYP2D6
SCHEMBL14048045 0.84 CYP1A2 (0.59) NPSR1CACNA1GCYP1A2CYP2D6CYP2C9
SCHEMBL8737039 0.83 DRD4 (0.64) NPSR1CACNA1GCYP2C9KMT2ADRD2
SCHEMBL10195008 0.83 NPSR1 (0.94) NPSR1CACNA1GCYP1A2CYP2D6CYP2C9
SCHEMBL4502913 0.83 CYP1A2 (0.73) NPSR1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL12334148 0.83 NPSR1 (0.58) NPSR1CACNA1GCYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143253-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 — — US disclosed
US-8143253-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 — — US disclosed
EP-2183027-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-08-31 — — EP disclosed
US-20100204235-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-08-12 — — US disclosed
US-20100204235-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-08-12 — — US disclosed
WO-2009013335-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-01-29 — — WO 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-20100204235-A1 ORGANIC COMPOUNDS ALK, OR10J3, FFAR4 HSD17B10 1735/4885NPSR1 404/4885CACNA1G 1324/4885

“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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