SCHEMBL25794425

SCHEMBL25794425

Bc1cc(N)c(OCCN(C)C)cc1Br

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.49
ROCK2 O75116 1/20 0.46
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
UTS2R Q9UKP6 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.37
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
NTRK1 P04629 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 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
SCHEMBL1986857 0.81 HTR7 (0.49) HTR7ROCK2CYP1A2CYP2D6CYP2C19
SCHEMBL25319735 0.77 HTR7 (0.54) HTR7ROCK2CYP1A2CYP2D6CYP2C19
SCHEMBL15545676 0.74 HTR7 (0.51) HTR7ROCK2CYP1A2CYP2D6CYP2C19
SCHEMBL1988447 0.74 ROCK2 (0.55) HTR7ROCK2CYP1A2CYP2D6CYP2C19
SCHEMBL19732163 0.73 HTR7 (0.51) HTR7ROCK2KDM4EPOLBL3MBTL1
SCHEMBL30061204 0.72 HTR7 (0.49) HTR7ROCK2CYP1A2CYP2D6CYP2C19
SCHEMBL23875713 0.72 HTR7 (0.49) HTR7ROCK2CYP1A2CYP2D6CYP2C19
SCHEMBL11448408 0.71 HRH3 (0.56) HTR7CYP1A2CYP2D6CYP2C19HRH3
SCHEMBL15786897 0.71 ROCK2 (0.55) HTR7ROCK2KDM4EMAPTHTR1B
SCHEMBL7399293 0.71 HTR7 (0.60) HTR7ROCK2CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174485-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-06-08 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 (1 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-20230174485-A1 LIPOXYGENASE INHIBITORS ALOX15B, ALOX12, ALOX15 HTR7 2208/4885ROCK2 1265/4885CYP1A2 66/4885

“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.