SCHEMBL22340503

SCHEMBL22340503

C=CCN(CC)Cc1ccccc1Br

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.67
CYP1A2 P05177 2/20 0.61
CYP2D6 P10635 2/20 0.61
CYP2C19 P33261 2/20 0.61
HSD17B10 Q99714 2/20 0.61
NFKB1 P19838 1/20 0.61
LMNA P02545 3/20 0.59
BLM P54132 1/20 0.59
PYCR1 P32322 2/20 0.42
TAAR1 Q96RJ0 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
BCHE P06276 1/20 0.35
IDO1 P14902 1/20 0.35
HTR1A P08908 1/20 0.35

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
SCHEMBL29336512 0.87 TSHR (0.58) TSHRCYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL4049148 0.85 TSHR (0.81) TSHRCYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL29336509 0.81 PYCR1 (0.56) TSHRCYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL20565292 0.77 TAAR1 (0.55) TSHRCYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL31039475 0.77 TAAR1 (0.55) TSHRCYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL8483664 0.77 TSHR (0.67) TSHRCYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL12126078 0.77 CNR2 (0.50) TSHRCYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL29389684 0.76 TSHR (1.00) TSHRCYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL693529 0.76 TSHR (1.00) TSHRCYP1A2CYP2D6CYP2C19HSD17B10
Hydrochloric Acid SCHEMBL2322266 0.75 KDM4E (0.49) TSHRCYP1A2CYP2D6CYP2C19ALDH1A1

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 TSHR 1107/4885CYP1A2 204/4885CYP2D6 2652/4885
US-11034646-B2 Method for the synthesis of unsymmetrical tertiary amines ADH1C, PNMT, ADH1A TSHR 1103/4885CYP1A2 169/4885CYP2D6 2314/4885

“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.