SCHEMBL757102

SCHEMBL757102

COC(=O)c1cccc(OCCCl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ MRGPRX4 Q96LA9 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ CYSLTR1 Q9Y271 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ TP53 P04637 1/20 0.50
▸ LOXL2 Q9Y4K0 1/20 0.50
▸ SMPD1 P17405 3/20 0.49
▸ CYP4F2 P78329 1/20 0.49

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
SCHEMBL2087816 0.94 ALDH1A1 (0.56) MAPTRAB9AMRGPRX4ALDH1A1CYP1A2
SCHEMBL27800201 0.87 MRGPRX4 (0.56) MAPTRAB9AMRGPRX4ALDH1A1CYP1A2
SCHEMBL2340354 0.86 KMT2A (0.71) MAPTRAB9AMRGPRX4ALDH1A1CYP1A2
SCHEMBL385706 0.86 RAB9A (0.59) MAPTRAB9AMRGPRX4ALDH1A1CYP1A2
SCHEMBL6283857 0.86 CYP4F2 (0.58) MAPTRAB9AMRGPRX4ALDH1A1CYP1A2
SCHEMBL18551395 0.85 ALDH1A1 (0.54) MAPTRAB9AMRGPRX4ALDH1A1CYP1A2
SCHEMBL8155574 0.85 L3MBTL1 (0.60) MAPTRAB9AKMT2ASMN1; SMN2L3MBTL1
SCHEMBL8002994 0.84 MRGPRX4 (0.57) MAPTRAB9AMRGPRX4ALDH1A1CYP1A2
SCHEMBL1606555 0.84 MAPT (0.54) MAPTRAB9AMRGPRX4ALDH1A1CYP1A2
SCHEMBL31536904 0.84 SMPD1 (0.63) MAPTRAB9AALDH1A1CYP1A2CYP3A4

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11022604-B2 Dock derived compound against laminin receptor (37 LR) and uses thereof PURDUE RESEARCH FOUNDATION (US) 2021-06-01 — — US disclosed
US-11022604-B2 Dock derived compound against laminin receptor (37 LR) and uses thereof PURDUE RESEARCH FOUNDATION (US) 2021-06-01 — — US disclosed
US-20200064334-A1 Dock Derived Compound against Laminin Receptor (37 LR) and Uses thereof PURDUE RESEARCH FOUNDATION (US) 2020-02-27 — — US disclosed
US-20200064334-A1 Dock Derived Compound against Laminin Receptor (37 LR) and Uses thereof PURDUE RESEARCH FOUNDATION (US) 2020-02-27 — — US disclosed
CN-102482284-B Pyrazolopyrimidine compounds and methods as JAK inhibitors GENENTECH, INC. (US) 2015-11-25 — — CN disclosed
CN-104910161-A Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH INC 2015-09-16 — — CN disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 — — US disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 — — US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 — — US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 — — US disclosed
WO-2009005677-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 — — WO disclosed
CN-101238124-A Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK & CO INC (US) 2008-08-06 — — CN disclosed
EP-1910364-A2 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Merck & Co., Inc. (US) 2008-04-16 — — EP disclosed
US-20070021454-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK SHARP & DOHME LLC 2007-01-25 — — US disclosed
WO-2007011833-A2 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2007-01-25 — — WO disclosed
EP-1183251-B1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA SA (ES) 2004-02-11 — — EP disclosed
US-6683096-B2 Indolylpiperidine derivatives as antihistaminic and antiallergic agents ALMIRALL PRODESFARMA, S.A. (ES) 2004-01-27 — — US disclosed
US-20020147344-A1 Indolylpiperidine derivatives as antihistaminic and antiallergic agents ALMIRALL PRODESFARMA, S.A. (ES) 2002-10-10 — — US disclosed
EP-1183251-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS Almirall Prodesfarma, S.A. (ES) 2002-03-06 — — EP disclosed
WO-2000075130-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA, S.A. (ES) 2000-12-14 — — 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-20070021454-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease BACE1, APP, PSEN1 MAPT 12/4885RAB9A 1941/4885MRGPRX4 4317/4885
US-20020147344-A1 Indolylpiperidine derivatives as antihistaminic and antiallergic agents HRH2, HRH1, HRH4 MAPT 3604/4885RAB9A 2169/4885MRGPRX4 157/4885
US-20200064334-A1 Dock Derived Compound against Laminin Receptor (37 LR) and Uses thereof ILK, LRRC47, RPL37 MAPT 1188/4885RAB9A 915/4885MRGPRX4 733/4885
US-11022604-B2 Dock derived compound against laminin receptor (37 LR) and uses thereof ILK, LRRC47, RPL37 MAPT 1188/4885RAB9A 915/4885MRGPRX4 733/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 MAPT 2923/4885RAB9A 1694/4885MRGPRX4 3773/4885

“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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