SCHEMBL3247900

SCHEMBL3247900

O=C([CH]Cc1ccccc1)c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.61
CYP1A1 P04798 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP1B1 Q16678 1/20 0.56
LMNA P02545 5/20 0.55
KMT2A Q03164 4/20 0.55
TDP1 Q9NUW8 1/20 0.55
PLOD2 O00469 1/20 0.54
ALDH1A1 P00352 4/20 0.53
GAA P10253 3/20 0.53
APP P05067 1/20 0.53
HCAR3 P49019 1/20 0.53
HCAR2 Q8TDS4 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
TSHR P16473 1/20 0.51

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
SCHEMBL3244713 0.82 TDP1 (0.52) GPR52CYP3A4CYP1B1LMNAKMT2A
SCHEMBL27611073 0.77 EPHX2 (0.60) GPR52CYP3A4LMNAKMT2ATDP1
SCHEMBL28304909 0.75 LMNA (0.56) GPR52LMNAKMT2ATDP1PLOD2
SCHEMBL14305649 0.75 NPC1 (0.73) GPR52CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL3251236 0.75 CYP1A1 (0.71) GPR52CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL360711 0.75 PLOD2 (0.69) GPR52LMNAKMT2ATDP1PLOD2
Hydrochloric Acid SCHEMBL11169565 0.73 PLOD2 (0.67) GPR52LMNAKMT2ATDP1PLOD2
Bromide SCHEMBL11040809 0.73 PLOD2 (0.67) GPR52LMNAKMT2ATDP1PLOD2
SCHEMBL27356346 0.73 ALDH1A1 (0.61) GPR52CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL29951025 0.73 ALDH1A1 (0.61) GPR52CYP1A1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP 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-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 GPR52 2294/4885CYP1A1 699/4885CYP1A2 1561/4885

“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.