SCHEMBL18396644

SCHEMBL18396644

COC(=O)c1ccc(C2(Nc3nccc(OCc4ccccc4)c3[N+](=O)[O-])CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MAPT P10636 3/20 0.45
PPIA P62937 5/20 0.41
PPIF P30405 1/20 0.40
LMNA P02545 3/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.38
PKM P14618 1/20 0.38
CYP19A1 P11511 1/20 0.37
MEN1 O00255 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 3/20 0.36
HTT P42858 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL3345989 0.73 PPIA (0.49) KMT2AMAPTPPIAPPIFCYP19A1
SCHEMBL3345757 0.69 PPIA (0.44) KMT2AMAPTPPIAPPIFCYP19A1
SCHEMBL30662860 0.69 KMT2A (0.54) KMT2APPIACYP19A1MEN1SMN1; SMN2
SCHEMBL26604443 0.69 KMT2A (0.54) KMT2APPIACYP19A1MEN1SMN1; SMN2
SCHEMBL18396648 0.69 ROCK1 (0.40) MAPTL3MBTL1HPGDALDH1A1HDAC3
SCHEMBL30082879 0.68 MYC (0.59) KMT2AMAPTLMNARAB9AHPGD
SCHEMBL527105 0.68 MYC (0.59) KMT2AMAPTLMNARAB9AHPGD
SCHEMBL751415 0.68 KMT2A (0.62) KMT2AMAPTLMNARAB9AL3MBTL1
SCHEMBL31321850 0.68 LMNA (0.53) KMT2AMAPTLMNARAB9AHPGD
SCHEMBL17524369 0.68 ALOX15 (0.38) KMT2AMAPTLMNARAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108368127-B Compounds and their use as EP4 receptor antagonists 武田药品工业株式会社 2020-12-11 CN disclosed
US-20200339577-A1 1-SUBSTITUTED 1,2,3,4-TETRAHYDRO-1,7-NAPHTHYRIDIN-8-AMINE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-10-29 US disclosed
US-10745397-B2 1-Substituted 1,2,3,4-tetrahydro-1,7-naphthyridin-8-amine derivatives and their use as EP4 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-08-18 US disclosed
EP-3325490-B1 1-SUBSTITUTED 1,2,3,4-TETRAHYDRO-1,7-NAPHTHYRIDIN-8-AMINE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2019-12-18 EP disclosed
US-20180215754-A1 1-SUBSTITUTED 1,2,3,4-TETRAHYDRO-1,7-NAPHTHYRIDIN-8-AMINE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-08-02 US disclosed
EP-3325490-A1 1-SUBSTITUTED 1,2,3,4-TETRAHYDRO-1,7-NAPHTHYRIDIN-8-AMINE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2018-05-30 EP disclosed
WO-2017014323-A1 1-SUBSTITUTED 1,2,3,4-TETRAHYDRO-1,7-NAPHTHYRIDIN-8-AMINE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-26 WO disclosed
WO-2017014323-A1 1-SUBSTITUTED 1,2,3,4-TETRAHYDRO-1,7-NAPHTHYRIDIN-8-AMINE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-26 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-10745397-B2 1-Substituted 1,2,3,4-tetrahydro-1,7-naphthyridin-8-amine derivatives and their use as EP4 receptor antagonists PTGER4, PTGER1, PTGER3 KMT2A 2430/4885MAPT 3480/4885PPIA 4550/4885
US-20200339577-A1 1-SUBSTITUTED 1,2,3,4-TETRAHYDRO-1,7-NAPHTHYRIDIN-8-AMINE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR ANTAGONISTS PTGER4, PTGER1, PTGER3 KMT2A 2430/4885MAPT 3480/4885PPIA 4550/4885
US-20180215754-A1 1-SUBSTITUTED 1,2,3,4-TETRAHYDRO-1,7-NAPHTHYRIDIN-8-AMINE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR ANTAGONISTS PTGER4, PTGER1, PTGER3 KMT2A 2430/4885MAPT 3480/4885PPIA 4550/4885

“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.