SCHEMBL21755084

SCHEMBL21755084

CCCCCCC(C)c1cnc(NCC)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.36
GPR84 Q9NQS5 1/20 0.35
HDAC3 O15379 3/20 0.33
HDAC1 Q13547 3/20 0.33
HDAC2 Q92769 3/20 0.33
HDAC8 Q9BY41 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SLC2A1 P11166 1/20 0.32
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
ADH7 P40394 1/20 0.32
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31

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
SCHEMBL19231989 0.80 GPR84 (0.38) GPR84SLC2A1ADH1BADH1CADH1A
SCHEMBL21755168 0.78 OPRM1 (0.38) GPR84SLC2A1ALDH1A1CYP1A2HSD17B10
SCHEMBL19231971 0.75 SLC2A1 (0.36) ACACBGPR84SLC2A1CYP1A2
SCHEMBL19965679 0.75 GPR84 (0.35) GPR84SLC2A1ALDH1A1HSD17B10
SCHEMBL19232020 0.75 SLC2A1 (0.36) GPR84SLC2A1
SCHEMBL23918690 0.74 GPR84 (0.38) GPR84SLC2A1
SCHEMBL19987490 0.74 SLC2A1 (0.35) ACACBGPR84SLC2A1
SCHEMBL18661804 0.72 SLC2A1 (0.39) GPR84SLC2A1
SCHEMBL18509350 0.72 ACACB (0.41) ACACBNPC1RAB9AUSP2ALDH1A1
SCHEMBL22788762 0.71 SLC2A1 (0.41) GPR84RAB9ASLC2A1USP2ALDH1A1

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-10568889-B2 Prostaglandin receptor EP2 antagonists, derivatives, compositions, and uses related thereto EMORY UNIVERSITY (US) 2020-02-25 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-10568889-B2 Prostaglandin receptor EP2 antagonists, derivatives, compositions, and uses related thereto PTGER2, PTGES2, PTGER1 ACACB 1174/4885GPR84 153/4885HDAC3 1690/4885

“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.