SCHEMBL7071968

SCHEMBL7071968

Cn1[c]nc2ccc(C(=O)NCCc3cccc4ccccc34)cc21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.49
MTNR1A P48039 4/20 0.47
MTNR1B P49286 2/20 0.47
NQO2 P16083 1/20 0.47
MAPT P10636 4/20 0.45
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
NAMPT P43490 1/20 0.42

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
SCHEMBL4223848 0.79 ACSS2 (0.51) MAPTGAAMEN1KMT2ATDP1
SCHEMBL7075301 0.75 TRPV1 (0.51) TRPV1MTNR1AMTNR1BNQO2MAPT
SCHEMBL5437839 0.73 MTNR1A (0.68) TRPV1MTNR1AMTNR1BNQO2MEN1
SCHEMBL4408801 0.73 MTNR1A (0.60) TRPV1MTNR1AMTNR1BNQO2MEN1
SCHEMBL3648771 0.72 ACSS2 (0.49) TDP1
SCHEMBL7614084 0.72 TRPV1 (0.55) TRPV1MTNR1AMTNR1BNQO2MAPT
SCHEMBL4092749 0.72 MTNR1A (0.62) TRPV1MTNR1AMTNR1BNQO2MEN1
SCHEMBL7610683 0.72 TRPV1 (0.57) TRPV1MTNR1AMTNR1BNQO2MAPT
SCHEMBL7067718 0.72 TRPV1 (0.40) TRPV1MTNR1AMTNR1BNQO2MAPT
SCHEMBL3235168 0.71 TRPV1 (0.66) TRPV1MTNR1AMTNR1BNQO2MEN1

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 5 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
EP-1019382-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS, INC. (US) 2000-07-19 EP disclosed
WO-1998045275-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS CORPORATION (US) 1998-10-15 WO 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 TRPV1 823/4885MTNR1A 440/4885MTNR1B 591/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 TRPV1 954/4885MTNR1A 476/4885MTNR1B 552/4885

“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.