Sugi Predict

Sugi Predict / Compounds / SCHEMBL517632

SCHEMBL517632

SCHEMBL517632

C[C@H](c1ccccc1)C1(C(N)=O)CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.41
▸ CYP2D6 P10635 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ EPHX1 P07099 2/20 0.37
▸ AKR1C1 Q04828 1/20 0.37
▸ CHRM2 P08172 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ RECQL P46063 1/20 0.36

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
SCHEMBL27932361 0.91 ALOX5 (0.44) ALOX5CYP2D6ALDH1A1LMNAHPGD
SCHEMBL28318116 0.91 ALOX5 (0.44) ALOX5CYP2D6ALDH1A1LMNAHPGD
SCHEMBL5521100 0.85 ALOX5 (0.42) ALOX5ALDH1A1LMNAHPGDKMT2A
SCHEMBL6462324 0.84 HSD11B1 (0.39) ALDH1A1SLC6A2SLC6A3
SCHEMBL6457653 0.84 HSD11B1 (0.39) ALDH1A1SLC6A2SLC6A3
SCHEMBL6922904 0.84 HSD11B1 (0.39) ALDH1A1SLC6A2SLC6A3
SCHEMBL15640766 0.82 CYP17A1 (0.41) CYP2D6ALDH1A1
SCHEMBL6923366 0.81 SLC6A4 (0.47) ALOX5ALDH1A1LMNAKMT2ASLC6A2
SCHEMBL6457544 0.81 SLC6A4 (0.47) ALOX5ALDH1A1LMNAKMT2ASLC6A2
SCHEMBL6458517 0.80 L3MBTL1 (0.52) OPRK1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9789118-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2017-10-17 — — US disclosed
US-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2014-06-19 — — US disclosed
US-8697739-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2014-04-15 — — US disclosed
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2012-02-02 — — US disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 — — 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 (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-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY ALOX5 1121/4885CYP2D6 584/4885ALDH1A1 215/4885
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY ALOX5 1121/4885CYP2D6 584/4885ALDH1A1 215/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 ALOX5 1614/4885CYP2D6 653/4885ALDH1A1 2036/4885

“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.