SCHEMBL3591883

SCHEMBL3591883

CCOC(=O)c1ccc(-c2ccccc2)c(CCN2CCCCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.51
▸ HRH3 Q9Y5N1 1/20 0.51
▸ DGAT1 O75907 3/20 0.49
▸ SOAT1 P35610 2/20 0.49
▸ TRPV1 Q8NER1 6/20 0.47
▸ PTGER4 P35408 1/20 0.45
▸ SIRT2 Q8IXJ6 1/20 0.45
▸ SIRT1 Q96EB6 1/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ JMJD6 Q6NYC1 1/20 0.44

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
SCHEMBL3604775 0.89 TRPV1 (0.58) TRPV1
SCHEMBL12990966 0.89 TRPV1 (0.58) TRPV1
SCHEMBL12991415 0.87 TRPV1 (0.57) TRPV1
SCHEMBL12991519 0.85 TRPV1 (0.51) TRPV1ALDH1A1SMN1; SMN2
SCHEMBL12990980 0.81 LMNA (0.51) HRH3TRPV1ALDH1A1SMN1; SMN2
SCHEMBL3589725 0.80 RAB9A (0.47) NPC1RAB9AALDH1A1SMN1; SMN2JMJD6
SCHEMBL28813537 0.79 RAB9A (0.51) NPC1RAB9AALDH1A1SMN1; SMN2JMJD6
SCHEMBL12991874 0.79 TRPV1 (0.45) DGAT1SOAT1TRPV1ALDH1A1
SCHEMBL12992344 0.79 HRH3 (0.49) KCNH2HRH3ALDH1A1
SCHEMBL12991869 0.78 ALDH1A1 (0.49) HRH3TRPV1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1632477-B1 BENZAMIDE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2017-03-01 — — EP disclosed
EP-1632477-B1 BENZAMIDE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2017-03-01 — — EP disclosed
US-7855198-B2 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2010-12-21 — — US disclosed
US-7855198-B2 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2010-12-21 — — US disclosed
US-20090270365-A1 such as N-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(piperidin-1-ylmethyl)biphenyl-4-carboxamide, having vanilloid receptor 1 antagonistic activity, used as analgesics ASTELLAS PHARMA INC. (JP) 2009-10-29 — — US disclosed
US-20090270365-A1 such as N-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(piperidin-1-ylmethyl)biphenyl-4-carboxamide, having vanilloid receptor 1 antagonistic activity, used as analgesics ASTELLAS PHARMA INC. (JP) 2009-10-29 — — US disclosed
US-7585878-B2 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-09-08 — — US disclosed
US-7585878-B2 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-09-08 — — US disclosed
US-20070167444-A1 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. 2007-07-19 — — US disclosed
EP-1632477-A1 BENZAMIDE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2006-03-08 — — EP 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-20090270365-A1 such as N-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(piperidin-1-ylmethyl)biphenyl-4-carboxamide, having vanilloid receptor 1 antagonistic activity, used as analgesics TRPV1, TRPV2, TRPV3 KCNH2 164/4885HRH3 126/4885DGAT1 2057/4885
US-20070167444-A1 Benzamide derivative or salt thereof TRPV1, BDKRB1, BDKRB2 KCNH2 208/4885HRH3 83/4885DGAT1 1981/4885

“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.

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