SCHEMBL22340495

SCHEMBL22340495

COc1ccc(CN(CC2CCCCC2)CC(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 1/20 0.47
▸ TAS2R14 Q9NYV8 1/20 0.47
▸ HTT P42858 1/20 0.42
▸ CACNA1B Q00975 1/20 0.41
▸ EPHX2 P34913 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ ADAM17 P78536 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 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
SCHEMBL29336125 0.85 RORC (0.50) PTGESTAS2R14HTTCNR1CNR2
SCHEMBL22340454 0.85 PTGES (0.50) PTGESTAS2R14HTTEPHX2CNR1
SCHEMBL29334346 0.83 PTGES (0.47) PTGESTAS2R14HTT
SCHEMBL20871141 0.82 PTGES (0.46) PTGESTAS2R14
SCHEMBL22340857 0.81 PTGES (0.50) PTGESTAS2R14HTTEPHX2NPC1
SCHEMBL31305923 0.81 APLNR (0.46) PTGESTAS2R14HTTALDH1A1SMN1; SMN2
SCHEMBL20871885 0.81 EPHX2 (0.44) PTGESTAS2R14HTTCACNA1BEPHX2
SCHEMBL20870805 0.81 PTGES (0.45) PTGESTAS2R14CNR2
SCHEMBL20870834 0.81 PTGES (0.45) PTGESTAS2R14CNR2
SCHEMBL22340458 0.81 PTGES (0.45) PTGESTAS2R14CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11034646-B2 Method for the synthesis of unsymmetrical tertiary amines Universite Paris-Saclay (FR) 2021-06-15 — — US disclosed
US-20200255369-A1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES Universite Paris-Saclay (FR) 2020-08-13 — — 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 (2 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-20200255369-A1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES ADH1C, ADH1A, ADH5 PTGES 2690/4885TAS2R14 1287/4885HTT 2812/4885
US-11034646-B2 Method for the synthesis of unsymmetrical tertiary amines ADH1C, PNMT, ADH1A PTGES 2575/4885TAS2R14 1535/4885HTT 2436/4885

“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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