SCHEMBL7075301

SCHEMBL7075301

O=C(NCCc1cccc2ccccc12)c1ccc2[nH][c]nc2c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.51
MTNR1A P48039 5/20 0.48
MTNR1B P49286 3/20 0.46
NQO2 P16083 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
NAMPT P43490 1/20 0.45
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CSNK1D P48730 1/20 0.43
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ATM Q13315 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
SCHEMBL7071982 0.78 THRB (0.53) TRPV1MTNR1AL3MBTL1MAPTMEN1
SCHEMBL7481830 0.77 ADORA3 (0.57) CYP2C19MAPTMEN1KMT2APOLB
SCHEMBL7073654 0.77 TRPV1 (0.49) TRPV1MTNR1AMTNR1BNQO2L3MBTL1
SCHEMBL7405762 0.76 F10 (0.51) TRPV1MTNR1AL3MBTL1MAPT
SCHEMBL7071968 0.75 TRPV1 (0.49) TRPV1MTNR1AMTNR1BNQO2L3MBTL1
SCHEMBL5437839 0.75 MTNR1A (0.68) TRPV1MTNR1AMTNR1BNQO2CDK4
SCHEMBL7072533 0.75 TRPV1 (0.47) TRPV1MTNR1AMTNR1BNQO2L3MBTL1
SCHEMBL4408801 0.74 MTNR1A (0.60) TRPV1MTNR1AMTNR1BNQO2CDK4
SCHEMBL7075076 0.73 TRPV1 (0.46) TRPV1MTNR1AMTNR1BNQO2L3MBTL1
SCHEMBL4092749 0.73 MTNR1A (0.62) TRPV1MTNR1AMTNR1BNQO2CDK4

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.