SCHEMBL2405195

SCHEMBL2405195

Cc1cccc2c(CC(=O)N(C)C3CC3)c[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ SOS2 Q07890 1/20 0.45
▸ BRPF1 P55201 1/20 0.45
▸ NR4A2 P43354 1/20 0.42
▸ CHRM1 P11229 1/20 0.41
▸ CNR2 P34972 1/20 0.40
▸ TRIM24 O15164 1/20 0.40
▸ TRIM33 Q9UPN9 1/20 0.40
▸ GABRA1 P14867 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA3 P34903 1/20 0.39
▸ GABRA2 P47869 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ PCSK9 Q8NBP7 1/20 0.39
▸ FNTA P49354 1/20 0.39
▸ FNTB P49356 1/20 0.39

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
SCHEMBL2406529 0.86 MPO (0.50) CHRM1PCSK9
SCHEMBL2405082 0.84 HTR6 (0.54) HTR2AGABRA1GABRG2GABRB3GABRA3
SCHEMBL6284097 0.77 HTR2A (0.58) HTR2AMAPTNPSR1SMN1; SMN2SOS2
SCHEMBL2408117 0.77 KMT2A (0.52) MAPTCHRM1KMT2AALDH1A1
SCHEMBL3611008 0.76 HTR2A (0.60) HTR2AMAPTNPSR1SMN1; SMN2SOS2
SCHEMBL1971768 0.75 HTR2A (0.57) HTR2AMAPTNPSR1SMN1; SMN2SOS2
SCHEMBL2406603 0.75 HTR2A (0.47) HTR2ANPSR1NR4A2CHRM1PCSK9
SCHEMBL2403274 0.75 ICMT (0.49) HTR2AMAPTNPSR1SMN1; SMN2NR4A2
SCHEMBL21808837 0.75 PKM (0.66) HTR2AMAPTNPSR1SMN1; SMN2SOS2
SCHEMBL24814480 0.74 SOS2 (0.60) HTR2AMAPTNPSR1SMN1; SMN2SOS2

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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 — — 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 HTR2A 46/4885MAPT 1419/4885NPSR1 20/4885

“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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