SCHEMBL2229796

SCHEMBL2229796

c1ccc(NCCc2nnn[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
HRH3 Q9Y5N1 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
TAAR1 Q96RJ0 2/20 0.37
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ROCK2 O75116 2/20 0.34
GRK2 P25098 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34

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
SCHEMBL19283174 0.82 TAAR1 (0.50) ALDH1A1MAPTTAAR1MEN1KMT2A
SCHEMBL23782476 0.77 GAA (0.53) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL4715479 0.74 DAO (0.47) ALDH1A1MAPTTAAR1TDP1HTR2A
SCHEMBL4248107 0.74 L3MBTL1 (0.39) L3MBTL1HRH3ALDH1A1MAPTMEN1
SCHEMBL1993506 0.72 SMN1; SMN2 (0.48) L3MBTL1HRH3ALDH1A1MAPTTAAR1
SCHEMBL7819517 0.71 DAO (0.50) HRH3CYP1A2CYP2C19HTR2A
SCHEMBL4671779 0.70
SCHEMBL9666999 0.69 TAAR1 (0.70) L3MBTL1HRH3ALDH1A1MAPTTAAR1
SCHEMBL10299591 0.69
SCHEMBL4427895 0.69 EPHX2 (0.53) L3MBTL1MAPTMEN1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011089183-A2 ANTICOAGULANT ANTIDOTES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-28 WO claimed
EP-0966454-B1 DISUBSTITUTED BICYCLIC HETEROCYCLES, THEIR PRODUCTION AND USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2003-05-07 EP claimed
US-11535597-B2 Photoreactive ligands and uses thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2022-12-27 US disclosed
US-20200071277-A1 PHOTOREACTIVE LIGANDS AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2020-03-05 US disclosed
WO-2011089183-A2 ANTICOAGULANT ANTIDOTES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-28 WO 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-11535597-B2 Photoreactive ligands and uses thereof CLTB, CRYAB, CRYAA L3MBTL1 2513/4885HRH3 2026/4885ALDH1A1 2216/4885
US-20200071277-A1 PHOTOREACTIVE LIGANDS AND USES THEREOF CLTB, CRYAB, CRYAA L3MBTL1 2513/4885HRH3 2026/4885ALDH1A1 2216/4885

“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.