SCHEMBL2420286

SCHEMBL2420286

C[C@H](O)c1cnc(Cl)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
NPSR1 Q6W5P4 4/20 0.39
IDH1 O75874 1/20 0.37
KMT2A Q03164 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
P2RX7 Q99572 1/20 0.34
TRPV1 Q8NER1 2/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TYK2 P29597 1/20 0.32

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
SCHEMBL1549298 1.00 ALDH1A1 (0.39) ALDH1A1NPSR1IDH1KMT2AOPRM1
SCHEMBL30388361 1.00 ALDH1A1 (0.39) ALDH1A1NPSR1IDH1KMT2AOPRM1
SCHEMBL2420288 1.00 ALDH1A1 (0.39) ALDH1A1NPSR1IDH1KMT2AOPRM1
SCHEMBL10028338 0.83 ALDH1A1 (0.41) ALDH1A1NPSR1IDH1KMT2AOPRM1
SCHEMBL19417093 0.83 CYP1A2 (0.34) ALDH1A1NPSR1IDH1KMT2AOPRM1
SCHEMBL13859196 0.82 CHRNB2 (0.33) ALDH1A1P2RX7
SCHEMBL24122821 0.80 CYP11B2 (0.37) IDH1P2RX7
SCHEMBL22978658 0.80 S100A9 (0.41) ALDH1A1MAPT
SCHEMBL22990521 0.80 P2RX7 (0.30) P2RX7
SCHEMBL29698274 0.80 S100A9 (0.41) ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026241-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2011-09-27 US disclosed
US-7582761-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-09-01 US disclosed
US-20090143575-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS BALAN CHENERA 2009-06-04 US disclosed
US-20040152690-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2004-08-05 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 (2 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-20090143575-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS TRPV1, TRPV3, TRPV2 ALDH1A1 2629/4885NPSR1 416/4885IDH1 4138/4885
US-20040152690-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 ALDH1A1 2522/4885NPSR1 529/4885IDH1 4429/4885

“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.