SCHEMBL1450544

SCHEMBL1450544

CN1CC(O)Cc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.51
MTNR1B P49286 2/20 0.51
NOTUM Q6P988 1/20 0.42
HTR2A P28223 4/20 0.40
HTR2C P28335 4/20 0.40
HTR2B P41595 4/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
KCNH2 Q12809 1/20 0.40
AADAT Q8N5Z0 2/20 0.39
GOT1 P17174 1/20 0.39
KYAT1 Q16773 1/20 0.39
KYAT3 Q6YP21 1/20 0.39
SLC18A3 Q16572 1/20 0.38
ESR1 P03372 1/20 0.38

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
SCHEMBL30632562 1.00 MTNR1A (0.51) MTNR1AMTNR1BNOTUMHTR2AHTR2C
SCHEMBL20980913 0.78 MTNR1A (0.49) MTNR1AMTNR1BNOTUMHTR2AHTR2C
SCHEMBL13345363 0.78 MTNR1A (0.49) MTNR1AMTNR1BNOTUMHTR2AHTR2C
SCHEMBL10173839 0.78 MTNR1A (0.49) MTNR1AMTNR1BNOTUMHTR2AHTR2C
SCHEMBL430325 0.77 SLC6A2 (0.49) MTNR1AMTNR1BNOTUMHTR2AHTR2C
SCHEMBL27903505 0.77 AADAT (0.42) MTNR1AMTNR1BNOTUMHTR2AHTR2C
SCHEMBL4798469 0.77 SLC6A2 (0.49) MTNR1AMTNR1BNOTUMHTR2AHTR2C
SCHEMBL23917061 0.77 NOTUM (0.39) MTNR1AMTNR1BNOTUMHTR2AHTR2C
SCHEMBL6341407 0.77 MTNR1A (0.62) MTNR1AMTNR1BNOTUMHTR2AHTR2C
SCHEMBL11667313 0.77 MTNR1A (0.56) MTNR1AMTNR1BNOTUMESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023192375-A1 HSD17B13 INHIBITORS AND USES THEREOF FL2022-001, INC. (US) 2023-10-05 WO disclosed
WO-2023061294-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 再鼎医药(上海)有限公司 2023-04-20 WO disclosed
WO-2020113071-A1 COMPOUNDS AND METHODS OF USE THEREOF FOR TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2020-06-04 WO disclosed
WO-2020028706-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2020-02-06 WO disclosed
EP-3140291-A2 TETRAHYDROQUINOLINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORY AND THE TREATMENT OF DISEASE Lycera Corporation (US) 2017-03-15 EP disclosed
US-8383839-B2 Heterocyclidene acetamide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-02-26 US disclosed
US-20110112071-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-05-12 US disclosed
US-7910751-B2 Heterocyclidene acetamide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-03-22 US disclosed
US-20080287428-A1 Novel Heterocyclidene Acetamide Derivative MOCHIDA PHARMACEUTICAL CO.,LTD (JP) 2008-11-20 US disclosed
EP-1908753-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2008-04-09 EP 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-20080287428-A1 Novel Heterocyclidene Acetamide Derivative TRPV1, TRPV3, TRPA1 MTNR1A 507/4885MTNR1B 871/4885NOTUM 1696/4885
US-20110112071-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE TRPV1, TRPV3, TRPA1 MTNR1A 507/4885MTNR1B 871/4885NOTUM 1696/4885

“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.