SCHEMBL30516986

SCHEMBL30516986

CO[C@H]1CCN(c2ccnc(-c3ccccc3)n2)C1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.51
ACACB O00763 3/20 0.48
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2D6 P10635 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
TSHR P16473 1/20 0.44
P2RY12 Q9H244 1/20 0.43
USP2 O75604 2/20 0.43
CYP2C19 P33261 1/20 0.43
FAAH O00519 3/20 0.42
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
MAP4K4 O95819 1/20 0.41

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
SCHEMBL30888835 0.80 P2RY12 (0.48) HSD17B10TSHRP2RY12USP2
SCHEMBL17626880 0.79 HRH3 (0.60) OGAACACBMAP4K4
SCHEMBL17626627 0.79 HRH3 (0.60) OGAACACBMAP4K4
SCHEMBL18691293 0.79 HRH3 (0.60) OGAACACBMAP4K4
SCHEMBL24891365 0.77 P2RY12 (0.46) ALDH1A1HSD17B10TSHRP2RY12USP2
SCHEMBL2921143 0.77 P2RY12 (0.59) ALDH1A1TSHRP2RY12USP2
SCHEMBL29521457 0.77 P2RY12 (0.59) ALDH1A1TSHRP2RY12USP2
SCHEMBL3059830 0.77 P2RY12 (0.59) ALDH1A1TSHRP2RY12USP2
SCHEMBL29868881 0.76 HRH3 (0.49) ALDH1A1HSD17B10TSHR
SCHEMBL29373138 0.76 HRH3 (0.49) ALDH1A1HSD17B10TSHR

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-20230255987-A1 AQUEOUS PHARMACEUTICAL COMPOSITION COMPRISING A P2Y12 RECEPTOR ANTAGONIST VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2023-08-17 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-20230255987-A1 AQUEOUS PHARMACEUTICAL COMPOSITION COMPRISING A P2Y12 RECEPTOR ANTAGONIST P2RY12, P2RY11, P2RY1 OGA 4355/4885ACACB 4195/4885ALDH1A1 2334/4885

“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.