SCHEMBL22340499

SCHEMBL22340499

C=CCN(CC)Cc1ccc(Br)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 8/20 0.64
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LSS P48449 2/20 0.48
HRH3 Q9Y5N1 1/20 0.47
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MAOB P27338 1/20 0.39
CCR5 P51681 1/20 0.38
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL29336098 0.86 PYCR1 (0.60) PYCR1KDM4EALDH1A1LSSHRH3
SCHEMBL20871858 0.84 CNR2 (0.49) PYCR1HRH3HDAC8HDAC6
SCHEMBL20871036 0.83 PYCR1 (0.57) PYCR1KDM4EALDH1A1LSSHRH3
SCHEMBL69821 0.82 PYCR1 (0.69) PYCR1KDM4EALDH1A1HRH3HDAC8
SCHEMBL10187442 0.82 PYCR1 (0.69) PYCR1KDM4EALDH1A1HRH3HDAC8
SCHEMBL29336000 0.82 PYCR1 (0.55) PYCR1KDM4EALDH1A1LSSHRH3
SCHEMBL12126078 0.81 CNR2 (0.50) KDM4EALDH1A1HRH3MAOB
SCHEMBL29335095 0.81 PYCR1 (0.58) PYCR1KDM4EALDH1A1LSSHRH3
SCHEMBL29335604 0.81 PYCR1 (0.58) PYCR1KDM4EALDH1A1LSSHRH3
SCHEMBL20871264 0.81 PYCR1 (0.54) PYCR1KDM4EALDH1A1LSS

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 PYCR1 1084/4885KDM4E 2452/4885ALDH1A1 179/4885
US-11034646-B2 Method for the synthesis of unsymmetrical tertiary amines ADH1C, PNMT, ADH1A PYCR1 1943/4885KDM4E 2466/4885ALDH1A1 182/4885

“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.