SCHEMBL18585014

SCHEMBL18585014

CC1CC(c2ccccc2)CCC1=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 3/20 0.49
AKR1C3 P42330 1/20 0.44
AKR1C1 Q04828 1/20 0.44
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
SRD5A2 P31213 2/20 0.41
SLC18A3 Q16572 2/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BRD4 O60885 3/20 0.40
DRD2 P14416 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
HPGD P15428 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
SCHEMBL7622654 0.82 MAP1LC3B (0.40) SRD5A1
SCHEMBL8260629 0.81 MAPT (0.48) SRD5A1AKR1C3AKR1C1GAAMAPT
SCHEMBL13039616 0.81 SRD5A1 (0.47) SRD5A1AKR1C3AKR1C1GAAMAPT
SCHEMBL5689614 0.80 TP53 (0.47) LMNA
SCHEMBL8920951 0.79 SRD5A1 (0.46) SRD5A1AKR1C3AKR1C1GAAMAPT
SCHEMBL6551213 0.79 SRD5A1 (0.46) SRD5A1AKR1C3AKR1C1GAAMAPT
SCHEMBL18621099 0.78 SRD5A1 (0.41) SRD5A1AKR1C3AKR1C1GAASLC18A3
SCHEMBL22321333 0.78 SRD5A1 (0.45) SRD5A1AKR1C3AKR1C1GAAMAPT
SCHEMBL22048164 0.78 SRD5A1 (0.45) SRD5A1AKR1C3AKR1C1GAAMAPT
SCHEMBL3460426 0.78 SRD5A1 (0.45) SRD5A1AKR1C3AKR1C1GAAMAPT

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-3924058-B1 5-ALKYL PYRROLIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2026-01-07 EP disclosed
EP-3924058-A1 5-ALKYL PYRROLIDINE OREXIN RECEPTOR AGONISTS Merck Sharp & Dohme Corp. (US) 2021-12-22 EP disclosed
WO-2020167706-A1 5-ALKYL PYRROLIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-08-20 WO disclosed
WO-2020167706-A1 5-ALKYL PYRROLIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-08-20 WO disclosed
US-20200255403-A1 5-ALKYL PYRROLIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-08-13 US disclosed
US-20200255403-A1 5-ALKYL PYRROLIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-08-13 US disclosed
US-10316035-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-06-11 US disclosed
US-10316035-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-06-11 US disclosed
US-20180244671-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MEYERS SQUIBB COMPANY (US) 2018-08-30 US disclosed
WO-2017040450-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 WO disclosed
WO-2017040450-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 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-10316035-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 SRD5A1 2104/4885AKR1C3 852/4885AKR1C1 808/4885
US-20180244671-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 SRD5A1 2104/4885AKR1C3 852/4885AKR1C1 808/4885
US-20200255403-A1 5-ALKYL PYRROLIDINE OREXIN RECEPTOR AGONISTS HCRTR2, HCRTR1, NPY5R SRD5A1 946/4885AKR1C3 935/4885AKR1C1 1082/4885

“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.