SCHEMBL16049701

SCHEMBL16049701

Nc1ccc(C(=O)N2CCC(O)(Cc3ccccc3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A P37288 3/20 0.58
▸ PKLR P30613 10/20 0.58
▸ CYP46A1 Q9Y6A2 3/20 0.54
▸ CHRM2 P08172 1/20 0.51
▸ CHRM3 P20309 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C8 P10632 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51

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
SCHEMBL21977074 0.95 PKLR (0.54) AVPR1APKLRCYP46A1ALDH1A1LMNA
SCHEMBL15689449 0.86 PKLR (0.50) AVPR1APKLR
SCHEMBL16084357 0.85 PKLR (0.60) PKLRCYP46A1CHRM2ALDH1A1LMNA
SCHEMBL16051297 0.81 AVPR1A (0.69) AVPR1ACYP46A1CYP3A4CYP2C8CYP2C9
SCHEMBL23581415 0.80 AVPR1A (0.59) AVPR1APKLRCYP46A1CYP3A4CYP2C8
SCHEMBL3833018 0.79 AVPR1A (0.62) AVPR1APKLRCYP46A1CYP3A4CYP2C8
SCHEMBL16130135 0.78 PKLR (0.64) AVPR1APKLRCYP46A1CHRM2CHRM3
SCHEMBL21976690 0.77 PKLR (0.61) PKLRCYP46A1CYP3A4CYP2C8CYP2C9
SCHEMBL16051041 0.77 PKLR (0.58) PKLR
SCHEMBL4516322 0.76 KDM4E (0.76) ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970189-B1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS INC (US) 2020-05-06 — — EP disclosed
EP-2970189-B1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS INC (US) 2020-05-06 — — EP disclosed
US-9365545-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC (US) 2016-06-14 — — US disclosed
US-9365545-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC (US) 2016-06-14 — — US disclosed
US-9365545-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC (US) 2016-06-14 — — US disclosed
US-20160046579-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC 2016-02-18 — — US disclosed
EP-2970189-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS Agios Pharmaceuticals, Inc. (US) 2016-01-20 — — EP disclosed
US-20150336931-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC 2015-11-26 — — US disclosed
US-20150336931-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC 2015-11-26 — — US disclosed
US-20150336931-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC 2015-11-26 — — US disclosed
US-9108921-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC (US) 2015-08-18 — — US disclosed
US-9108921-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC (US) 2015-08-18 — — US disclosed
US-9108921-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC (US) 2015-08-18 — — US disclosed
US-20140288081-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC (US) 2014-09-25 — — US disclosed
US-20140288081-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC (US) 2014-09-25 — — US disclosed
US-20140288081-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC (US) 2014-09-25 — — US disclosed
WO-2014139325-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. (US) 2014-09-18 — — WO disclosed
WO-2014139144-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. (US) 2014-09-18 — — WO disclosed
WO-2014139325-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. (US) 2014-09-18 — — WO disclosed
WO-2014139144-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. (US) 2014-09-18 — — 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-20160046579-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PC, PDK2 AVPR1A 3971/4885PKLR 19/4885CYP46A1 1012/4885
US-20140288081-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PC, PDK2 AVPR1A 4191/4885PKLR 14/4885CYP46A1 1078/4885
US-20150336931-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PC, PDK2 AVPR1A 4191/4885PKLR 14/4885CYP46A1 1078/4885

“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.

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