SCHEMBL3610882

SCHEMBL3610882

C=CCC[C@@H]1CC[C@H](C(=O)O)N1C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HTR2C P28335 1/20 0.45
ELANE P08246 6/20 0.42
AGTR2 P50052 4/20 0.42
F2 P00734 3/20 0.42
CTSG P08311 2/20 0.42
CYP2C19 P33261 1/20 0.42
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
P2RX4 Q99571 1/20 0.40

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
SCHEMBL2200960 0.88 ELANE (0.45) SMN1; SMN2NPC1RAB9AHTR2CELANE
SCHEMBL2207568 0.87 HTR2C (0.46) SMN1; SMN2NPC1RAB9AHTR2CELANE
SCHEMBL9546482 0.83 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AHTR2CAGTR2
SCHEMBL9546475 0.83 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AHTR2CAGTR2
SCHEMBL1604782 0.82 FKBP1A (0.41) SMN1; SMN2NPC1RAB9AHTR2CELANE
SCHEMBL13567880 0.82 HTR2C (0.53) SMN1; SMN2NPC1RAB9AHTR2CAGTR2
SCHEMBL1508927 0.82 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AHTR2CAGTR2
SCHEMBL1509090 0.82 HTR2C (0.53) SMN1; SMN2NPC1RAB9AHTR2CAGTR2
SCHEMBL15500345 0.81 ELANE (0.44) SMN1; SMN2NPC1RAB9AHTR2CELANE
SCHEMBL1508494 0.81 HTR2C (0.51) SMN1; SMN2NPC1RAB9AHTR2CAGTR2

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-20100160352-A1 ADENINE DERIVATIVES MERCK PATENT GMBH (DE) 2010-06-24 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-20100160352-A1 ADENINE DERIVATIVES HSP90AA1, TRAP1, HSP90AB1 SMN1; SMN2 3585/4885NPC1 1183/4885RAB9A 1759/4885

“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.