SCHEMBL20577931

SCHEMBL20577931

COC(=O)C[C@@H](C)Nc1ccccc1C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
HPGD P15428 4/20 0.43
ALDH1A1 P00352 1/20 0.43
P2RX7 Q99572 1/20 0.43
MAPT P10636 2/20 0.42
PGR P06401 1/20 0.42
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
GAA P10253 3/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALOX12 P18054 1/20 0.41
LMNA P02545 1/20 0.41
ANPEP P15144 1/20 0.40

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
SCHEMBL20577930 1.00 RAB9A (0.44) RAB9ANPC1HPGDALDH1A1P2RX7
SCHEMBL11315276 0.88 GAA (0.49) RAB9ANPC1HPGDALDH1A1P2RX7
SCHEMBL30797262 0.83 ITGB1 (0.53) RAB9ANPC1HPGDALDH1A1P2RX7
SCHEMBL27660386 0.79 HPGD (0.47) RAB9ANPC1HPGDALDH1A1P2RX7
SCHEMBL2386328 0.78 TSHR (0.46) RAB9AHPGDALDH1A1MAPTGAA
SCHEMBL30797243 0.78 TSHR (0.46) RAB9AHPGDALDH1A1MAPTGAA
SCHEMBL2386329 0.78 TSHR (0.46) RAB9AHPGDALDH1A1MAPTGAA
SCHEMBL22950649 0.78 TSHR (0.46) RAB9AHPGDALDH1A1MAPTGAA
SCHEMBL13626615 0.76 KDM4E (0.48) RAB9ANPC1ALDH1A1P2RX7MAPT
SCHEMBL20780229 0.75 MAPT (0.47) RAB9ANPC1HPGDALDH1A1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108602810-B Suvorexane intermediate compound and preparation method thereof 浙江华海药业股份有限公司 2021-11-09 CN disclosed
EP-3412665-B1 SUVOREXANT INTERMEDIATES AND PREPARATION METHODS THEREOF ZHEJIANG HUAHAI PHARM CO LTD (CN) 2021-03-03 EP disclosed
US-10618891-B2 Suvorexant intermediate and preparation method thereof ZHEJIANG HUAHAI PHARMACEUTICAL CO., LTD. (CN) 2020-04-14 US disclosed
US-20190040052-A1 SUVOREXANT INTERMEDIATE AND PREPARATION METHOD THEREOF ZHEJIANG HUAHAI PHARMACEUTICAL CO., LTD. (CN) 2019-02-07 US disclosed
EP-3412665-A1 SUVOREXANT INTERMEDIATE AND PREPARATION METHOD THEREOF Zhejiang Huahai Pharmaceutical Co., Ltd (CN) 2018-12-12 EP disclosed
CN-108602810-A Su Woleisheng midbody compounds and preparation method thereof 浙江华海药业股份有限公司 2018-09-28 CN 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 (2 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-20190040052-A1 SUVOREXANT INTERMEDIATE AND PREPARATION METHOD THEREOF COMT, KMO, CYP4B1 RAB9A 490/4885NPC1 582/4885HPGD 1349/4885
US-10618891-B2 Suvorexant intermediate and preparation method thereof COMT, KMO, CYP4B1 RAB9A 490/4885NPC1 582/4885HPGD 1349/4885

“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.