SCHEMBL621722

SCHEMBL621722

O=C(O)N(CCO)CCN(CCO)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ALDH2 P05091 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL2493116 0.97 CA12 (0.41) CA12CA1CA2CA9MAPT
SCHEMBL8982384 0.87 MAPT (0.50) CA12CA1CA2CA9MAPT
SCHEMBL6883197 0.86 CA12 (0.35) CA12CA1CA2CA9MAPT
SCHEMBL6247927 0.86 CAMK2A (0.38) CA12CA1CA2CA9MAPT
SCHEMBL11512646 0.85
SCHEMBL4281077 0.84 CA12 (0.33) CA12CA1CA2CA9MAPT
SCHEMBL6246329 0.84 GPR84 (0.39) CA12CA1CA2CA9MAPT
SCHEMBL77048 0.84 CA12 (0.46) CA12CA1CA2CA9MAPT
SCHEMBL3510313 0.84 ALDH1A1 (0.33) CA12CA1CA2CA9MAPT
Diethanolamine SCHEMBL1696414 0.82 REN (0.36) CA12CA1CA2CA9MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210252156-A1 METHODS OF TREATING NAUSEA UTILIZING SEMI-SOLID DELIVERY VEHICLE COMPOSITIONS COMPRISING GRANISETRON HERON THERAPEUTICS INC (US) 2021-08-19 US disclosed
EP-3834817-A1 SEMI-SOLID DELIVERY VEHICLE AND PHARMACEUTICAL COMPOSITIONS Heron Therapeutics, Inc. (US) 2021-06-16 EP disclosed
US-20200405866-A1 METHODS OF TREATING NAUSEA UTILIZING SEMI-SOLID DELIVERY VEHICLE COMPOSITIONS COMPRISING GRANISETRON HERON THERAPEUTICS, INC. 2020-12-31 US disclosed
EP-3424492-B1 SEMI-SOLID DELIVERY VECHICLE AND PHARMACEUTICAL COMPOSITIONS HERON THERAPEUTICS INC (US) 2020-05-27 EP disclosed
US-10357570-B2 Methods of treating nausea utilizing semi-solid delivery vehicle compositions comprising granisetron HERON THERAPEUTICS, INC. (US) 2019-07-23 US disclosed
EP-3424492-A1 SEMI-SOLID DELIVERY VECHICLE AND PHARMACEUTICAL COMPOSITIONS Heron Therapeutics, Inc. (US) 2019-01-09 EP disclosed
US-20180339052-A1 METHODS OF TREATING NAUSEA UTILIZING SEMI-SOLID DELIVERY VEHICLE COMPOSITIONS COMPRISING GRANISETRON HERCULES CAPITAL, INC., AS AGENT 2018-11-29 US disclosed
EP-2902012-B1 Semi-solid delivery vehicle and pharmaceutical compositions HERON THERAPEUTICS INC (US) 2018-08-08 EP disclosed
US-9913910-B2 Methods of treating nausea utilizing semi-solid delivery vehicle compositions comprising granisetron HERON THERAPEUTICS, INC. (US) 2018-03-13 US disclosed
US-20170007705-A1 SEMI-SOLID DELIVERY VEHICLE AND PHARMACEUTICAL COMPOSITIONS HERCULES CAPITAL, INC., AS AGENT 2017-01-12 US disclosed
US-6590059-B2 Orthopedic implants or vehicles for sustained delivery of pharmaceutical, cosmetic and agricultural agents AP PHARMA, INC. 2003-07-08 US disclosed
EP-1280558-A2 SEMI-SOLID DELIVERY VEHICLE AND PHARMACEUTICAL COMPOSITIONS Advanced Polymer Systems, Inc. (US) 2003-02-05 EP disclosed
US-20020176844-A1 Bioerodible polyorthoesters containing hydrogen bonding groups AP PHARMA, INC. 2002-11-28 US disclosed
WO-2002092061-A1 BIORODIBLE POLY(ORTHOESTERS) FROM DIOXOLANE-BASED DIKETENE ACETALS A.P. PHARMA, INC. (US) 2002-11-21 WO disclosed
WO-2002092661-A1 PEG-POE, PEG-POE-PEG, AND POE-PEG-POE BLOCK COPOLYMERS AP PHARMA, INC. (US) 2002-11-21 WO disclosed
WO-2002092655-A1 BIOERODIBLE POLY(ORTHOESTERS) CONTAINING HYDROGEN BONDING GROUPS A.P. PHARMA, INC. (US) 2002-11-21 WO disclosed
US-20020168336-A1 Bioerodible polyorthoesters from dioxolane-based diketene acetals HERON THERAPEUTICS, INC. (F/K/A A.P. PHARMA, INC.) 2002-11-14 US disclosed
US-20020037300-A1 Semi-solid delivery vehicle and pharmaceutical compositions HERON THERAPEUTICS, INC. (F/K/A A.P. PHARMA, INC.) 2002-03-28 US disclosed
WO-2001085139-A2 SEMI-SOLID DELIVERY VEHICLE AND PHARMACEUTICAL COMPOSITIONS ADVANCED POLYMER SYSTEMS, INC. (US) 2001-11-15 WO disclosed
US-4549010-A Bioerodible poly(ortho ester) thermoplastic elastomer from diketene diacetal MERCK & CO., INC. (US) 1985-10-22 US 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 (8 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-20020037300-A1 Semi-solid delivery vehicle and pharmaceutical compositions LIPA, CEL, SORD CA12 1616/4885CA1 3455/4885CA2 2135/4885
US-20200405866-A1 METHODS OF TREATING NAUSEA UTILIZING SEMI-SOLID DELIVERY VEHICLE COMPOSITIONS COMPRISING GRANISETRON LPXN, CRH, NTSR1 CA12 951/4885CA1 883/4885CA2 1310/4885
US-20020176844-A1 Bioerodible polyorthoesters containing hydrogen bonding groups PLOD3, HAO2, CD44 CA12 1207/4885CA1 1022/4885CA2 1957/4885
US-20210252156-A1 METHODS OF TREATING NAUSEA UTILIZING SEMI-SOLID DELIVERY VEHICLE COMPOSITIONS COMPRISING GRANISETRON LPXN, CRH, NTSR1 CA12 951/4885CA1 883/4885CA2 1310/4885
US-10357570-B2 Methods of treating nausea utilizing semi-solid delivery vehicle compositions comprising granisetron LPXN, CRH, NTSR1 CA12 951/4885CA1 883/4885CA2 1310/4885
US-20180339052-A1 METHODS OF TREATING NAUSEA UTILIZING SEMI-SOLID DELIVERY VEHICLE COMPOSITIONS COMPRISING GRANISETRON LPXN, CRH, NTSR1 CA12 951/4885CA1 883/4885CA2 1310/4885
US-20170007705-A1 SEMI-SOLID DELIVERY VEHICLE AND PHARMACEUTICAL COMPOSITIONS LIPA, CEL, SORD CA12 1616/4885CA1 3455/4885CA2 2135/4885
US-20020168336-A1 Bioerodible polyorthoesters from dioxolane-based diketene acetals HAAO, HAO2, HAO1 CA12 1319/4885CA1 1206/4885CA2 3505/4885

“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.