SCHEMBL17422296

SCHEMBL17422296

O=C(O)N1CCN(c2c(F)cc(OCC(=O)N3CCCCC3)cc2F)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.54
ALDH1A1 P00352 2/20 0.49
TSHR P16473 1/20 0.49
RAB9A P51151 3/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 1/20 0.46
ENPP2 Q13822 2/20 0.45
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL17422241 0.99 HPGD (0.52) HPGDALDH1A1TSHRRAB9APOLB
SCHEMBL18879761 0.88 HPGD (0.58) HPGDALDH1A1TSHRRAB9APOLB
SCHEMBL18879721 0.86 HPGD (0.56) HPGDALDH1A1TSHRRAB9APOLB
SCHEMBL21122527 0.84 HPGD (0.54) HPGDALDH1A1TSHRRAB9APOLB
SCHEMBL18876524 0.84 HPGD (0.54) HPGDALDH1A1TSHRRAB9APOLB
Hydrochloric Acid SCHEMBL17422189 0.84 HPGD (0.53) HPGDALDH1A1TSHRRAB9APOLB
SCHEMBL28545104 0.84 HPGD (0.51) HPGDALDH1A1TSHRRAB9APOLB
SCHEMBL18876448 0.83 HPGD (0.52) HPGDALDH1A1TSHRRAB9APOLB
Hydrochloric Acid SCHEMBL17422302 0.82 HPGD (0.51) HPGDALDH1A1TSHRRAB9APOLB
SCHEMBL17422251 0.82 GPR119 (0.49) HPGDALDH1A1TSHRRAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3386988-B1 NOVEL DIHYDROPYRANOPYRIMIDINONE DERIVATIVES, AND USE THEREOF ST PHARM CO LTD (KR) 2021-09-15 EP disclosed
EP-3166945-B1 NOVEL TRIAZOLOPYRIMIDINONE OR TRIAZOLOPYRIDINONE DERIVATIVES, AND USE THEREOF ST PHARM CO LTD (KR) 2019-10-09 EP disclosed
US-10336765-B2 Dihydropyranopyrimidinone derivatives, and use thereof ST. PHARM CO., LTD. (KR) 2019-07-02 US disclosed
US-10179785-B2 Imidazotriazinone or imidazopyrazinone derivatives, and use thereof ST PHARM CO., LTD. (KR) 2019-01-15 US disclosed
US-20180362538-A1 Novel Dihydropyranopyrimidinone Derivatives, and Use Thereof ST. PHARM CO., LTD. (KR) 2018-12-20 US disclosed
US-9914737-B2 Triazolopyrimidinone or triazolopyridinone derivatives, and use thereof ST PHARM CO., LTD. (KR) 2018-03-13 US disclosed
US-20170166572-A1 NOVEL IMIDAZOTRIAZINONE OR IMIDAZOPYRAZINONE DERIVATIVES, AND USE THEREOF ST PHARM CO., LTD. (KR) 2017-06-15 US disclosed
US-20170145016-A1 NOVEL TRIAZOLOPYRIMIDINONE OR TRIAZOLOPYRIDINONE DERIVATIVES, AND USE THEREOF ST PHARM CO., LTD. (KR) 2017-05-25 US disclosed
EP-3166945-A2 NOVEL TRIAZOLOPYRIMIDINONE OR TRIAZOLOPYRIDINONE DERIVATIVES, AND USE THEREOF ST Pharm Co. Ltd. (KR) 2017-05-17 EP disclosed
EP-3166946-A2 NOVEL IMIDAZOTRIAZINONE OR IMIDAZOPYRAZINONE DERIVATIVES, AND USE THEREOF ST Pharm Co. Ltd. (KR) 2017-05-17 EP disclosed
WO-2016006974-A2 NOVEL TRIAZOLOPYRIMIDINONE OR TRIAZOLOPYRIDINONE DERIVATIVES, AND USE THEREOF ST PHARM CO., LTD. (KR) 2016-01-14 WO disclosed
WO-2016006975-A2 NOVEL IMIDAZOTRIAZINONE OR IMIDAZOPYRAZINONE DERIVATIVES, AND USE THEREOF ST PHARM CO., LTD. (KR) 2016-01-14 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-20170145016-A1 NOVEL TRIAZOLOPYRIMIDINONE OR TRIAZOLOPYRIDINONE DERIVATIVES, AND USE THEREOF TNKS1BP1, TNKS, TPI1 HPGD 2739/4885ALDH1A1 2244/4885TSHR 3720/4885
US-20180362538-A1 Novel Dihydropyranopyrimidinone Derivatives, and Use Thereof TNKS1BP1, TPI1, TNKS HPGD 1398/4885ALDH1A1 855/4885TSHR 4621/4885
US-10179785-B2 Imidazotriazinone or imidazopyrazinone derivatives, and use thereof TNKS1BP1, TPI1, TPMT HPGD 2743/4885ALDH1A1 1644/4885TSHR 3046/4885
US-20170166572-A1 NOVEL IMIDAZOTRIAZINONE OR IMIDAZOPYRAZINONE DERIVATIVES, AND USE THEREOF TNKS1BP1, TPI1, TBKBP1 HPGD 3107/4885ALDH1A1 2275/4885TSHR 2735/4885
US-10336765-B2 Dihydropyranopyrimidinone derivatives, and use thereof TNKS1BP1, TPI1, TNKS HPGD 1575/4885ALDH1A1 831/4885TSHR 4609/4885

“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.