SCHEMBL9963862

SCHEMBL9963862

CC(OC(=O)OC1CCCCC1)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ EPHX1 P07099 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CYP19A1 P11511 2/20 0.37
▸ NAAA Q02083 2/20 0.35
▸ CYP2C19 P33261 2/20 0.33
▸ LMNA P02545 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ SCN1A P35498 1/20 0.32
▸ SCN2A Q99250 1/20 0.32
▸ SCN3A Q9NY46 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ TSHR P16473 1/20 0.32

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
SCHEMBL18687110 0.85 CYP19A1 (0.33) CYP19A1MAPT
SCHEMBL18411032 0.84 EPHX1 (0.41) SMN1; SMN2EPHX1HTTNPC1RAB9A
SCHEMBL5542628 0.82 CYP19A1 (0.42) SMN1; SMN2EPHX1HTTNPC1RAB9A
SCHEMBL13130088 0.81 EPHX1 (0.41) SMN1; SMN2EPHX1HTTCYP19A1NAAA
SCHEMBL5512762 0.80 CYP19A1 (0.40) SMN1; SMN2EPHX1HTTNPC1RAB9A
SCHEMBL23222733 0.79 EPHX1 (0.40) SMN1; SMN2EPHX1HTTNPC1RAB9A
SCHEMBL5986431 0.79 EPHX1 (0.40) SMN1; SMN2EPHX1HTTCYP19A1NAAA
SCHEMBL5987477 0.79 EPHX1 (0.40) SMN1; SMN2EPHX1HTTCYP19A1NAAA
SCHEMBL12255658 0.79 CYP19A1 (0.42) SMN1; SMN2EPHX1HTTNPC1RAB9A
SCHEMBL16731581 0.79 CYP19A1 (0.42) SMN1; SMN2EPHX1HTTNPC1RAB9A

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 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210079017-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-03-18 — — US disclosed
US-10759813-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-09-01 — — US disclosed
US-20200031847-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-01-30 — — US disclosed
US-10336773-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-07-02 — — US disclosed
US-20180194776-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-07-12 — — US disclosed
US-20180194757-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-07-12 — — US disclosed
US-20180194757-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-07-12 — — US disclosed
US-20180194776-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-07-12 — — US disclosed
US-20180105503-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-04-19 — — US disclosed
US-20180105503-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-04-19 — — US disclosed
US-8481044-B2 Neprilysin inhibitors THERAVANCE, INC. (US) 2013-07-09 — — US disclosed
US-8449890-B2 Neprilysin inhibitors THERAVANCE, INC. (US) 2013-05-28 — — US disclosed
US-20120308588-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-12-06 — — US disclosed
US-20120308587-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-12-06 — — US disclosed
US-20120309724-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-12-06 — — US disclosed
US-20120213806-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-08-23 — — US disclosed
US-20120213807-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-08-23 — — US disclosed
US-20120213807-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-08-23 — — US disclosed
US-20120157386-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-06-21 — — US disclosed
US-20120157383-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-06-21 — — 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 (14 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-10759813-B2 Neprilysin inhibitors MME, REN, ACE SMN1; SMN2 905/4885EPHX1 641/4885HTT 381/4885
US-20120309724-A1 NEPRILYSIN INHIBITORS MME, REN, ACE SMN1; SMN2 1009/4885EPHX1 636/4885HTT 444/4885
US-20180194757-A1 NEPRILYSIN INHIBITORS MME, REN, ACE SMN1; SMN2 950/4885EPHX1 904/4885HTT 452/4885
US-20120213806-A1 NEPRILYSIN INHIBITORS MME, REN, ACE SMN1; SMN2 1023/4885EPHX1 607/4885HTT 494/4885
US-20120157386-A1 NEPRILYSIN INHIBITORS MME, REN, ACE SMN1; SMN2 905/4885EPHX1 641/4885HTT 381/4885
US-20120308588-A1 NEPRILYSIN INHIBITORS MME, REN, ACE SMN1; SMN2 1043/4885EPHX1 916/4885HTT 455/4885
US-20120213807-A1 NEPRILYSIN INHIBITORS MME, REN, EDNRB SMN1; SMN2 1096/4885EPHX1 974/4885HTT 696/4885
US-10336773-B2 Neprilysin inhibitors MME, REN, ACE SMN1; SMN2 905/4885EPHX1 641/4885HTT 381/4885
US-20210079017-A1 NEPRILYSIN INHIBITORS MME, REN, ACE SMN1; SMN2 905/4885EPHX1 641/4885HTT 381/4885
US-20120308587-A1 NEPRILYSIN INHIBITORS MME, REN, ACE SMN1; SMN2 950/4885EPHX1 904/4885HTT 452/4885
US-20180194776-A1 NEPRILYSIN INHIBITORS MME, REN, ACE SMN1; SMN2 905/4885EPHX1 641/4885HTT 381/4885
US-20200031847-A1 NEPRILYSIN INHIBITORS MME, REN, ACE SMN1; SMN2 905/4885EPHX1 641/4885HTT 381/4885
US-20180105503-A1 NEPRILYSIN INHIBITORS MME, REN, ACE SMN1; SMN2 1009/4885EPHX1 636/4885HTT 444/4885
US-20120157383-A1 NEPRILYSIN INHIBITORS MME, REN, ACE SMN1; SMN2 905/4885EPHX1 641/4885HTT 381/4885

“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.

Send feedback