SCHEMBL25858277

SCHEMBL25858277

CN[C@H](C)COc1ccc(Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
MAOA P21397 1/20 0.46
PTGS1 P23219 1/20 0.46
ALDH1A1 P00352 5/20 0.45
MAPK1 P28482 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
KDM4E B2RXH2 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 2/20 0.43

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
SCHEMBL16622970 1.00 MAPT (0.53) MAPTMAOAPTGS1ALDH1A1MAPK1
SCHEMBL21757295 0.83 MAPT (0.51) MAPTMAOAPTGS1ALDH1A1MAPK1
SCHEMBL20840100 0.81 KDM4E (0.47) MAPTALDH1A1MAPK1KDM4ESMN1; SMN2
SCHEMBL13589883 0.81 SLC6A2 (0.56) MAOAPTGS1MAPK1MEN1KMT2A
SCHEMBL7090303 0.81 SCN4A (0.46) MAOAPTGS1ALDH1A1MEN1KMT2A
SCHEMBL11598862 0.80 MAOA (0.69) MAOAPTGS1MAPK1MEN1KMT2A
SCHEMBL13212031 0.80 MAOA (0.69) MAOAPTGS1MAPK1MEN1KMT2A
SCHEMBL940075 0.79 MAPT (0.54) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL21749917 0.78 MTNR1A (0.58) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL21749916 0.78 MTNR1A (0.58) MAPTALDH1A1MEN1KMT2AKDM4E

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-20230227459-A1 METHOD FOR PRODUCING 3,6-DISUBSTITUTED-IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-07-20 US disclosed
US-11667642-B2 Method for producing 3,6-disubstituted-imidazo[1,2-b]pyridazine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-06-06 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-20230227459-A1 METHOD FOR PRODUCING 3,6-DISUBSTITUTED-IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVE ADIPOR1, ADIPOR2, FABP4 MAPT 3588/4885MAOA 307/4885PTGS1 1747/4885
US-11667642-B2 Method for producing 3,6-disubstituted-imidazo[1,2-b]pyridazine derivative CBR3, DHPS, HRH4 MAPT 4242/4885MAOA 138/4885PTGS1 1366/4885

“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.