SCHEMBL22340686

SCHEMBL22340686

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

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.52
ALDH1A1 P00352 2/20 0.50
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
LMNA P02545 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ACHE P22303 2/20 0.48
APLNR P35414 3/20 0.46
TSPO P30536 1/20 0.44
BCHE P06276 1/20 0.43
MAPT P10636 2/20 0.43
SLC6A4 P31645 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PKM P14618 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL20871284 1.00 TAAR1 (0.52) TAAR1ALDH1A1CNR1CNR2LMNA
SCHEMBL20871285 0.93 TAAR1 (0.57) TAAR1ALDH1A1CNR1CNR2APLNR
SCHEMBL20871404 0.86 CNR1 (0.47) TAAR1ALDH1A1CNR1CNR2LMNA
SCHEMBL22340664 0.86 CNR1 (0.47) TAAR1ALDH1A1CNR1CNR2LMNA
SCHEMBL22340682 0.86 TAAR1 (0.51) TAAR1ALDH1A1CNR1CNR2APLNR
SCHEMBL29335354 0.86 BCL2A1 (0.52) TAAR1ALDH1A1CNR2APLNRTDP1
SCHEMBL20871276 0.86 TAAR1 (0.51) TAAR1ALDH1A1LMNANPSR1APLNR
SCHEMBL29335353 0.86 TAAR1 (0.51) TAAR1ALDH1A1CNR1CNR2LMNA
SCHEMBL11669812 0.85 TAAR1 (0.54) TAAR1ALDH1A1CNR1CNR2LMNA
SCHEMBL22340948 0.84 CNR1 (0.45) TAAR1ALDH1A1CNR1CNR2LMNA

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 13/4885ALDH1A1 179/4885CNR1 1297/4885
US-11034646-B2 Method for the synthesis of unsymmetrical tertiary amines ADH1C, PNMT, ADH1A TAAR1 23/4885ALDH1A1 182/4885CNR1 1767/4885

“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.