SCHEMBL6748231

SCHEMBL6748231

CC(C)[N+](CCC#N)(NP(O)O[C@H]1[C@@H](O)[C@H](n2cnc3c(=O)[nH]c(N)nc32)O[C@@H]1CO)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 6/20 0.47
▸ TAAR1 Q96RJ0 1/20 0.46
▸ HPGD P15428 2/20 0.46
▸ NT5E P21589 1/20 0.45
▸ TGM2 P21980 1/20 0.44
▸ TAS1R3 Q7RTX0 1/20 0.44
▸ TAS1R1 Q7RTX1 1/20 0.44
▸ GSK3A P49840 2/20 0.43
▸ RPS6KA3 P51812 2/20 0.43
▸ MAPK14 Q16539 2/20 0.43
▸ ADORA2A P29274 1/20 0.42
▸ FUT5 Q11128 1/20 0.42
▸ PNP P00491 1/20 0.42
▸ KRAS P01116 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
SCHEMBL14896399 0.82 HINT1 (0.49) HINT1TAAR1HPGDNT5ETGM2
SCHEMBL16561344 0.81 HINT1 (0.49) HINT1HPGDNT5ETGM2TAS1R3
SCHEMBL6037194 0.80 HINT1 (0.56) HINT1HPGDNT5ETGM2GSK3A
SCHEMBL16359926 0.78 HINT1 (0.61) HINT1HPGDNT5ETGM2TAS1R3
SCHEMBL1374872 0.78 HINT1 (0.61) HINT1HPGDNT5ETGM2TAS1R3
SCHEMBL23425431 0.78 HINT1 (0.61) HINT1HPGDNT5ETGM2TAS1R3
SCHEMBL20444711 0.78 HINT1 (0.61) HINT1HPGDNT5ETGM2TAS1R3
SCHEMBL22883381 0.78 HINT1 (0.61) HINT1HPGDNT5ETGM2TAS1R3
SCHEMBL23679991 0.78 HINT1 (0.61) HINT1HPGDNT5ETGM2TAS1R3
SCHEMBL1639395 0.78 HINT1 (0.61) HINT1HPGDNT5ETGM2TAS1R3

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-20040102618-A1 Human RNase H1 and oligonucleotide compositions thereof ISIS PHARMACEUTICALS, INC. 2004-05-27 — — 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-20040102618-A1 Human RNase H1 and oligonucleotide compositions thereof RNASEH1, RNASE1, RNASEL HINT1 281/4885TAAR1 4240/4885HPGD 3765/4885

“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.

Send feedback