SCHEMBL31635985

SCHEMBL31635985

N#Cc1cnc2[nH]cc(CCBr)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
SLC6A4 P31645 4/20 0.36
NTRK1 P04629 2/20 0.35
PIK3CA P42336 1/20 0.35
NEK1 Q96PY6 1/20 0.35
HTT P42858 1/20 0.35
CYP2C9 P11712 4/20 0.35
KIT P10721 2/20 0.34
CYP3A4 P08684 2/20 0.33
LRRK2 Q5S007 1/20 0.33
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32

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
SCHEMBL3441143 0.82 SLC6A4 (0.40) MTNR1AMTNR1BSLC6A4NEK1CYP2C9
SCHEMBL31326359 0.79 HTR2A (0.44) AAK1MTNR1AMTNR1BSLC6A4NEK1
SCHEMBL31635986 0.79 MPO (0.44) SLC6A4
SCHEMBL31326313 0.79 HTR2A (0.45) SLC6A4
SCHEMBL31635966 0.78 AURKA (0.49) MTNR1AMTNR1BSLC6A4NTRK1CYP3A4
SCHEMBL1268087 0.78 SLC6A4 (0.41) AAK1MTNR1AMTNR1BSLC6A4NTRK1
SCHEMBL31326310 0.78 SLC6A4 (0.42) MTNR1AMTNR1BSLC6A4NTRK1PIK3CA
SCHEMBL21920736 0.77 JAK2 (0.48) AAK1MTNR1AMTNR1BSLC6A4CYP2C9
SCHEMBL31636024 0.77 CYP3A4 (0.46) MTNR1AMTNR1BSLC6A4CYP2C9KIT
SCHEMBL30087940 0.77 JAK2 (0.48) AAK1MTNR1AMTNR1BSLC6A4CYP2C9

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
US-20250361233-A1 Compounds For Activating Serotonin Receptor Psylo Pty Ltd (AU) 2025-11-27 US disclosed
US-12415804-B2 Compounds for activating a serotonin receptor Psylo Pty Ltd (AU) 2025-09-16 US disclosed
US-20250206739-A1 Compounds Psylo Pty Ltd (AU) 2025-06-26 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 (3 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-20250206739-A1 Compounds NLN, SLC18A2, PYGB AAK1 2841/4885MTNR1A 888/4885MTNR1B 461/4885
US-12415804-B2 Compounds for activating a serotonin receptor HTR2C, HTR6, HTR2A AAK1 886/4885MTNR1A 141/4885MTNR1B 121/4885
US-20250361233-A1 Compounds For Activating Serotonin Receptor HTR2C, HTR2A, HTR6 AAK1 862/4885MTNR1A 153/4885MTNR1B 132/4885

“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.