SCHEMBL18409015

SCHEMBL18409015

CCCCC(C)(CC)C(=O)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
HTT P42858 3/20 0.46
POLB P06746 3/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
PKM P14618 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.41
USP2 O75604 1/20 0.40
CTSK P43235 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RECQL P46063 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
SCHEMBL18610658 0.94 HTT (0.48) SMN1; SMN2HTTPOLBLMNAHPGD
SCHEMBL18937752 0.90 PKM (0.48) SMN1; SMN2HTTPOLBLMNAHPGD
SCHEMBL24858435 0.90 SMN1; SMN2 (0.46) SMN1; SMN2HTTPOLBLMNAHPGD
SCHEMBL24961284 0.90 SMN1; SMN2 (0.44) SMN1; SMN2HTTPOLBLMNAHPGD
SCHEMBL21555502 0.89 HTT (0.49) SMN1; SMN2HTTPOLBLMNAHPGD
SCHEMBL19295481 0.87 HTT (0.50) SMN1; SMN2HTTPOLBLMNAHPGD
SCHEMBL25007284 0.87 HTT (0.50) SMN1; SMN2HTTPOLBLMNAHPGD
SCHEMBL27333893 0.86 SMN1; SMN2 (0.49) SMN1; SMN2HTTPOLBLMNAHPGD
SCHEMBL18427198 0.85 L3MBTL1 (0.46) SMN1; SMN2POLBHPGDMEN1KMT2A
SCHEMBL18427188 0.85 L3MBTL1 (0.42) SMN1; SMN2POLBHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002414-A1 AZAHETEROARYL COMPOUND AND APPLICATION THEREOF SHANGHAI BLUERAY BIOPHARMA CO., LTD. (CN) 2023-01-05 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-9873696-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-01-23 US disclosed
US-20170320895-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-11-09 US disclosed
US-20170217959-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-08-03 US disclosed
US-9688692-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-06-27 US disclosed
US-20170022219-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-01-26 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 (6 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-20230002414-A1 AZAHETEROARYL COMPOUND AND APPLICATION THEREOF EZH2, EED, SUZ12 SMN1; SMN2 1471/4885HTT 3866/4885POLB 2461/4885
US-20170022219-A1 NEPRILYSIN INHIBITORS MME, REN, ACE SMN1; SMN2 905/4885HTT 381/4885POLB 1730/4885
US-10336773-B2 Neprilysin inhibitors MME, REN, ACE SMN1; SMN2 905/4885HTT 381/4885POLB 1730/4885
US-20170320895-A1 NEPRILYSIN INHIBITORS MME, REN, ACE SMN1; SMN2 905/4885HTT 381/4885POLB 1730/4885
US-20180194776-A1 NEPRILYSIN INHIBITORS MME, REN, ACE SMN1; SMN2 905/4885HTT 381/4885POLB 1730/4885
US-20170217959-A1 NEPRILYSIN INHIBITORS MME, REN, ACE SMN1; SMN2 905/4885HTT 381/4885POLB 1730/4885

“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.