Sugi Predict

Sugi Predict / Compounds / SCHEMBL4287726

SCHEMBL4287726

SCHEMBL4287726

COc1ccc(C[C@H]2NC(=O)CN(Cc3ccccc3)C2=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 5/20 0.66
▸ HDAC6 Q9UBN7 5/20 0.64
▸ HDAC1 Q13547 4/20 0.64
▸ HDAC8 Q9BY41 4/20 0.64
▸ MMP1 P03956 1/20 0.55
▸ MMP3 P08254 1/20 0.55
▸ MMP9 P14780 1/20 0.55
▸ GAA P10253 2/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC9 Q9UKV0 1/20 0.46
▸ HDAC5 Q9UQL6 1/20 0.46
▸ POLB P06746 1/20 0.45

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
SCHEMBL12520922 1.00 OPRK1 (0.66) OPRK1HDAC6HDAC1HDAC8MMP1
SCHEMBL873256 1.00 OPRK1 (0.66) OPRK1HDAC6HDAC1HDAC8MMP1
SCHEMBL28231994 0.95 OPRK1 (0.59) OPRK1HDAC6HDAC1HDAC8MMP1
SCHEMBL877776 0.89 HDAC6 (0.73) OPRK1HDAC6HDAC1HDAC8GAA
SCHEMBL8452072 0.89 HDAC6 (0.73) OPRK1HDAC6HDAC1HDAC8GAA
SCHEMBL876552 0.89 HDAC6 (0.73) OPRK1HDAC6HDAC1HDAC8GAA
SCHEMBL2085123 0.88 OPRK1 (0.67) OPRK1HDAC6HDAC1HDAC8MMP1
SCHEMBL873923 0.88 HDAC6 (0.62) OPRK1HDAC6HDAC1HDAC8MMP1
SCHEMBL6717771 0.87 OPRK1 (0.57) OPRK1HDAC6HDAC1HDAC8MMP1
SCHEMBL3492615 0.87 HDAC6 (0.60) OPRK1HDAC6HDAC1HDAC8MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 — — US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 — — US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 — — US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 — — US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 — — US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 — — US disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 — — WO disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 — — WO disclosed
US-20070123532-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2007-05-31 — — US disclosed
US-7166598-B2 e.g 1-[3,5-bis(trifluoromethyl)benzoyl]-2-[3-[(2-methoxyethoxy)-methoxy]-4-methylbenzyl]-4-[2-[(3R)-3-methoxymethyl-morpholino]ethyl]piperazine; treating or preventing Tachykinin-mediated diseases such as asthma, emesis, an anxiety disorder, pollakiuria, urinary incontinence and irritable bowel syndrome ASTELLAS PHARMA INC. (JP) 2007-01-23 — — US disclosed
EP-1140924-B1 PIPERAZINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2006-03-22 — — EP disclosed
US-20060014948-A1 e.g 1-[3,5-bis(trifluoromethyl)benzoyl]-2-[3-[(2-methoxyethoxy)-methoxy]-4-methylbenzyl]-4-[2-[(3R)-3-methoxymethyl-morpholino]ethyl]piperazine; treating or preventing Tachykinin-mediated diseases in humans or animals FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2006-01-19 — — US disclosed
EP-0873320-B1 PIPERAZINE DERIVATIVES AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2002-06-12 — — EP disclosed
US-20020010182-A1 Piperazine derivatives as tachykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-24 — — US disclosed
EP-1140924-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 — — EP disclosed
US-6087357-A Piperazine derivatives as tachykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-11 — — US disclosed
WO-2000035915-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-06-22 — — 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 (5 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-20060014948-A1 e.g 1-[3,5-bis(trifluoromethyl)benzoyl]-2-[3-[(2-methoxyethoxy)-methoxy]-4-methylbenzyl]-4-[2-[(3R)-3-methoxymethyl-morpholino]ethyl]piperazine; treating or preventing Tachykinin-mediated diseases in humans or animals PKD2, TAC3, PKD1 OPRK1 130/4885HDAC6 955/4885HDAC1 1360/4885
US-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT OPRK1 2640/4885HDAC6 903/4885HDAC1 67/4885
US-20020010182-A1 Piperazine derivatives as tachykinin antagonists PKD2, SSTR5, TAC3 OPRK1 141/4885HDAC6 543/4885HDAC1 1041/4885
US-20070123532-A1 PIPERAZINE DERIVATIVES PKD2, SSTR5, IL5 OPRK1 337/4885HDAC6 423/4885HDAC1 1013/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT OPRK1 2640/4885HDAC6 903/4885HDAC1 67/4885

“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.