SCHEMBL2488263

SCHEMBL2488263

O=[N+]([O-])c1cccc(CNCCO)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 3/20 0.52
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.52
POLB P06746 1/20 0.52
PTPN1 P18031 1/20 0.51
CYP2C19 P33261 2/20 0.50
CYP19A1 P11511 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
RECQL P46063 1/20 0.49
KDM1A O60341 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48

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
Hydrochloric Acid SCHEMBL7597139 0.98 TSHR (0.53) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL7962315 0.91 TSHR (0.51) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL6733344 0.84 KMT2A (0.56) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL18994884 0.83 ALDH1A1 (0.53) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL6675948 0.83 MEN1 (0.66) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL1039984 0.82 TSHR (0.59) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL30482083 0.82 TSHR (0.59) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL8174468 0.82 CYP2C19 (0.56) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL15265102 0.81 ALDH1A1 (0.55) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL30821448 0.81 FFAR1 (0.61) MEN1KMT2AMAPTALDH1A1LMNA

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
EP-2837624-B1 4-SUBSTITUENT-2-HYDROXYLMORPHOLINE-3-ONE AND PREPARATION METHOD THEREOF ZHEJIANG HISUN PHARM CO LTD (CN) 2018-06-27 EP disclosed
EP-3233855-A1 USE FOR DYEING KERATIN FIBRES OF A COMPOUND OF AZOMETHINE TYPE BEARING TWO PYRAZOLOPYRIDINE UNITS L'OREAL (FR) 2017-10-25 EP disclosed
US-9676736-B2 4-substituent-2-hydroxylmorpholine-3-one and preparation method thereof ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2017-06-13 US disclosed
WO-2016097198-A1 USE FOR DYEING KERATIN FIBRES OF A COMPOUND OF AZOMETHINE TYPE BEARING TWO PYRAZOLOPYRIDINE UNITS L'OREAL (FR) 2016-06-23 WO disclosed
US-20150087828-A1 4-SUBSTITUENT-2-HYDROXYLMORPHOLINE-3-ONE AND PREPARATION METHOD THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2015-03-26 US disclosed
EP-2837624-A1 4-SUBSTITUENT-2-HYDROXYLMORPHOLINE-3-ONE AND PREPARATION METHOD THEREOF Zhejiang Hisun Pharmaceutical Co. Ltd. (CN) 2015-02-18 EP disclosed
CN-102675240-B 4-substitute-2-hydroxy morpholine-3-ketone and preparation method thereof ZHEJIANG HISUN PHARM CO LTD 2015-01-14 CN disclosed
EP-2143714-B1 TETRAHYDROISOQUINOLINE COMPOUND KOWA CO (JP) 2013-06-05 EP disclosed
US-8420830-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-16 US disclosed
US-8420830-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-16 US disclosed
US-20100120844-A1 TETRAHYDROISOQUINOLINE COMPOUND KOWA COMPANY, LTD. (JP) 2010-05-13 US disclosed
US-20100120844-A1 TETRAHYDROISOQUINOLINE COMPOUND KOWA COMPANY, LTD. (JP) 2010-05-13 US disclosed
US-20100120844-A1 TETRAHYDROISOQUINOLINE COMPOUND KOWA COMPANY, LTD. (JP) 2010-05-13 US disclosed
US-20100113488-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-05-06 US disclosed
US-20100113488-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-05-06 US disclosed
WO-2010015471-A2 COLORING CONDITIONERS HENKEL AG & CO. KGAA (DE) 2010-02-11 WO disclosed
EP-2143714-A1 TETRAHYDROISOQUINOLINE COMPOUND Kowa Company, Ltd. (JP) 2010-01-13 EP disclosed
EP-2143714-A1 TETRAHYDROISOQUINOLINE COMPOUND Kowa Company, Ltd. (JP) 2010-01-13 EP disclosed
WO-2009077302-A2 TINTING GEL FOAM HENKEL AG & CO. KGAA (DE) 2009-06-25 WO disclosed
WO-2008079836-A2 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-03 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 (3 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-20150087828-A1 4-SUBSTITUENT-2-HYDROXYLMORPHOLINE-3-ONE AND PREPARATION METHOD THEREOF OPRK1, HTR3C, HTR3A TSHR 898/4885MEN1 1273/4885KMT2A 1542/4885
US-20100113488-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F5 TSHR 528/4885MEN1 872/4885KMT2A 2808/4885
US-20100120844-A1 TETRAHYDROISOQUINOLINE COMPOUND CCR3, CCR5, CCR1 TSHR 2331/4885MEN1 2946/4885KMT2A 3570/4885

“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.