SCHEMBL22340682

SCHEMBL22340682

COc1ccc(CN(c2ccc(I)cc2)C(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.51
APP P05067 5/20 0.50
APLNR P35414 2/20 0.45
SLC6A4 P31645 1/20 0.41
PYCR1 P32322 1/20 0.40
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
IDO1 P14902 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL20871285 0.92 TAAR1 (0.57) TAAR1APLNRSLC6A4PYCR1HTT
SCHEMBL22340667 0.87 APP (0.46) TAAR1APPAPLNRSLC6A4PYCR1
SCHEMBL22340686 0.86 TAAR1 (0.52) TAAR1APLNRSLC6A4CNR1CNR2
SCHEMBL20871284 0.86 TAAR1 (0.52) TAAR1APLNRSLC6A4CNR1CNR2
SCHEMBL29335354 0.84 BCL2A1 (0.52) TAAR1APLNRSMN1; SMN2CNR2ALDH1A1
SCHEMBL29335353 0.84 TAAR1 (0.51) TAAR1APLNRSLC6A4HTTCNR1
SCHEMBL20871276 0.84 TAAR1 (0.51) TAAR1APLNRSLC6A4PYCR1ALDH1A1
SCHEMBL22340961 0.84 APP (0.44) TAAR1APPAPLNRSLC6A4PYCR1
SCHEMBL11669812 0.84 TAAR1 (0.54) TAAR1CNR1CNR2ALDH1A1
SCHEMBL29335346 0.82 BMP1 (0.50) TAAR1APLNRSLC6A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3707132-B1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES UNIV PARIS SACLAY (FR) 2024-07-17 EP disclosed
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 TAAR1 13/4885APP 4003/4885APLNR 3099/4885
US-11034646-B2 Method for the synthesis of unsymmetrical tertiary amines ADH1C, PNMT, ADH1A TAAR1 23/4885APP 4157/4885APLNR 3455/4885

“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.