SCHEMBL18261069

SCHEMBL18261069

CC(COc1ccc(I)cc1)NC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.58
MTNR1B P49286 6/20 0.58
ACACB O00763 3/20 0.51
ACACA Q13085 1/20 0.51
MAOA P21397 1/20 0.44
PTGS1 P23219 1/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43

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
SCHEMBL9111530 1.00 MTNR1A (0.58) MTNR1AMTNR1BACACBACACAMAOA
SCHEMBL15641638 0.85 MTNR1A (0.59) MTNR1AMTNR1BACACBACACAPTGS1
SCHEMBL9114739 0.84 MTNR1A (0.58) MTNR1AMTNR1BACACBACACAMAOA
SCHEMBL21749916 0.84 MTNR1A (0.58) MTNR1AMTNR1BACACBACACA
SCHEMBL21749917 0.84 MTNR1A (0.58) MTNR1AMTNR1BACACBACACA
SCHEMBL9112634 0.83 MTNR1A (0.56) MTNR1AMTNR1BACACBACACA
SCHEMBL9109525 0.81 MTNR1A (0.55) MTNR1AMTNR1BACACBACACA
SCHEMBL18027261 0.81 MTNR1A (0.48) MTNR1AMTNR1BACACBACACA
SCHEMBL18290032 0.81 MTNR1A (0.48) MTNR1AMTNR1BACACBACACA
SCHEMBL2551008 0.81 MTNR1A (0.58) MTNR1AMTNR1BACACBACACAMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3981766-A1 INDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Eisai R&D Management Co., Ltd. (JP) 2022-04-13 EP disclosed
US-10851065-B2 Tetrasubstituted alkene compounds and their use EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-12-01 US disclosed
US-10252997-B2 Monocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-04-09 US disclosed
US-20180127378-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-05-10 US disclosed
EP-3302471-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE Eisai R&D Management Co., Ltd. (JP) 2018-04-11 EP disclosed
US-20180079723-A1 MONOCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-22 US disclosed
EP-3279183-A1 MONOCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-02-07 EP disclosed
US-9796683-B2 Tetrasubstituted alkene compounds and their use EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-10-24 US disclosed
WO-2016196337-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R & D MANAGEMENT CO., LTD. (JP) 2016-12-08 WO disclosed
WO-2016196346-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-12-08 WO disclosed
US-20160347717-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-12-01 US 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-10851065-B2 Tetrasubstituted alkene compounds and their use BRCA1, ESR2, ESR1 MTNR1A 3975/4885MTNR1B 3782/4885ACACB 1737/4885
US-10252997-B2 Monocyclic compound FABP1, CPT1A, GOT2 MTNR1A 995/4885MTNR1B 750/4885ACACB 28/4885
US-20160347717-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE BRCA1, ESR2, ESR1 MTNR1A 3975/4885MTNR1B 3782/4885ACACB 1737/4885
US-20180079723-A1 MONOCYCLIC COMPOUND FABP1, CPT1A, GOT2 MTNR1A 995/4885MTNR1B 750/4885ACACB 28/4885
US-20180127378-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE BRCA1, ESR2, ESR1 MTNR1A 3975/4885MTNR1B 3782/4885ACACB 1737/4885

“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.