SCHEMBL7071950

SCHEMBL7071950

CNC(=N)N1CCc2[nH]c(C(C)c3nc4ccc(C(=O)NCCc5cccc6ccccc56)cc4n3C)nc2C1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.35
ACSS2 Q9NR19 5/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
MAPT P10636 6/20 0.34
TP53 P04637 4/20 0.34
LMNA P02545 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
HTR6 P50406 2/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NQO2 P16083 1/20 0.33
MTNR1B P49286 1/20 0.33

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
SCHEMBL7075194 0.93 ACSS2 (0.36) MTNR1AACSS2OPRM1OPRD1OPRK1
SCHEMBL7068306 0.92 ACSS2 (0.35) MTNR1AACSS2OPRM1OPRD1OPRK1
SCHEMBL7073469 0.92 ACSS2 (0.36) MTNR1AACSS2OPRM1OPRD1OPRK1
SCHEMBL7073312 0.80 TRPV1 (0.37) MTNR1AACSS2OPRM1OPRD1OPRK1
SCHEMBL7073159 0.80 TP53 (0.36) ACSS2MAPTTP53
SCHEMBL7072446 0.79 LMNA (0.41) ACSS2TP53LMNAPOLBALDH1A1
SCHEMBL7072215 0.78 OPRM1 (0.36) MTNR1AACSS2OPRM1OPRD1OPRK1
SCHEMBL7067718 0.77 TRPV1 (0.40) MTNR1AACSS2MAPTTRPV1POLB
SCHEMBL7068242 0.77 TRPV1 (0.36) MTNR1AACSS2OPRM1OPRD1OPRK1
SCHEMBL7068238 0.77 TRPV1 (0.36) MTNR1AACSS2OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders AXYS PHARMACEUTICALS, INC. (US) 2003-11-13 US disclosed
US-6562854-B2 Antiinflammatory agents; respiratory system disorders AXYS PHARMACEUTICALS, INC. 2003-05-13 US disclosed
US-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity Celera Corporation 2001-12-20 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-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity CMA1, CPA3, TPSG1 MTNR1A 440/4885ACSS2 609/4885OPRM1 1725/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 MTNR1A 476/4885ACSS2 746/4885OPRM1 1617/4885

“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.