SCHEMBL3249734

SCHEMBL3249734

c1ccc2c(CC34CC5CC(CC(C5)C3)C4)cccc2c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
P2RX7 Q99572 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
EPHX2 P34913 2/20 0.40
ACHE P22303 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ACP3 P15309 1/20 0.39
SLC18A2 Q05940 1/20 0.38

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
SCHEMBL727665 0.76 CYP2D6 (0.44) CYP2D6CYP1A2CYP2C19CYP2C9MEN1
SCHEMBL14510877 0.75 MEN1 (0.62) CYP2D6P2RX7MEN1KMT2AEPHX2
SCHEMBL11446784 0.75 P2RX7 (0.44) P2RX7MEN1KMT2AEPHX2ALDH1A1
SCHEMBL9038705 0.74 P2RX7 (0.43) P2RX7MEN1KMT2AEPHX2ALDH1A1
Hydrochloric Acid SCHEMBL11447298 0.74 MEN1 (0.45) P2RX7MEN1KMT2AEPHX2ALDH1A1
SCHEMBL27463437 0.71 KMT2A (0.55) P2RX7MEN1KMT2AEPHX2
SCHEMBL8740875 0.70 P2RX7 (0.49) P2RX7MEN1KMT2A
SCHEMBL25567710 0.70 P2RX7 (0.43) P2RX7MEN1KMT2AEPHX2ALDH1A1
SCHEMBL354182 0.70 MEN1 (0.56) P2RX7MEN1KMT2AEPHX2ALDH1A1
SCHEMBL3043614 0.69 SLC6A3 (0.41) MEN1KMT2AALDH1A1MAPT

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 CYP2D6 2600/4885CYP1A2 1561/4885CYP2C19 2422/4885

“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.