SCHEMBL20345540

SCHEMBL20345540

COC1CC2(C1)CN(c1ccc(CN)cc1)C2

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
HSD17B10 Q99714 4/20 0.32
USP2 O75604 3/20 0.32
CYP3A4 P08684 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
IDH1 O75874 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.31
MAOB P27338 1/20 0.31
CYP2D6 P10635 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
RORC P51449 1/20 0.30

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
SCHEMBL18357565 0.82 LOXL2 (0.32) LOXL2MAOB
SCHEMBL18357788 0.81 NSD2 (0.31) LOXL2
SCHEMBL18357546 0.80 ABAT (0.35) LOXL2HSD17B10USP2CYP3A4ALDH1A1
SCHEMBL18357596 0.80 LOXL2 (0.35) LOXL2HSD17B10USP2CYP3A4ALDH1A1
SCHEMBL20345584 0.78 MAOB (0.42) LOXL2ALDH1A1MAPK1CYP1A2MAOB
SCHEMBL20346945 0.76 RORC (0.46) DPP4HSD17B10RORC
SCHEMBL20345541 0.76 KDM4E (0.41) HRH3
SCHEMBL18357434 0.75 LOXL2 (0.41) LOXL2HSD17B10USP2CYP3A4ALDH1A1
SCHEMBL18357603 0.75 MAOB (0.45) LOXL2MAOB
SCHEMBL18357392 0.75 ST14 (0.38) LOXL2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180186768-A1 Antibacterial Compounds JANSSEN SCIENCES IRELAND UC (IE) 2018-07-05 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 (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-20180186768-A1 Antibacterial Compounds FDPS, SQOR, NDUFS3 DPP4 108/4885LOXL2 4199/4885HSD17B10 1973/4885

“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.