SCHEMBL4054424

SCHEMBL4054424

CN1CCC(COCc2ccccc2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
LMNA P02545 1/20 0.43
LTA4H P09960 1/20 0.41
TSHR P16473 1/20 0.40
OPRM1 P35372 1/20 0.40
KCNH2 Q12809 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
ACHE P22303 2/20 0.40
HSD11B1 P28845 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL17144310 0.82 SIGMAR1 (0.45) CTSLCTSBCTSKLMNAOPRM1
SCHEMBL5088875 0.80 HSD11B1 (0.59) HSD11B1
SCHEMBL17144390 0.79 CTSL (0.41) CTSLCTSBCTSKLMNAHSD11B1
SCHEMBL17144595 0.79 CTSL (0.41) CTSLCTSBCTSKLMNAHSD11B1
SCHEMBL17144556 0.78 CTSL (0.40) CTSLCTSBCTSKLMNAACHE
SCHEMBL17144557 0.78 CTSL (0.40) CTSLCTSBCTSKLMNAACHE
SCHEMBL28298211 0.77 CTSL (0.51) CTSLCTSBCTSKLMNACHRM2
SCHEMBL30428166 0.76 CCNC (0.36)
SCHEMBL19741746 0.74 ACE (0.44) CTSLCTSBCTSKLMNAHSD11B1
SCHEMBL17143980 0.74 ACE (0.44) CTSLCTSBCTSKLMNAHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569570-B2 Thienopyrimidines, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-04 US disclosed
US-7569570-B2 Thienopyrimidines, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-04 US disclosed
US-7569570-B2 Thienopyrimidines, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-04 US disclosed
US-20050222174-A1 Thienopyrimidines, process for preparing the same and use thereof TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2005-10-06 US disclosed
EP-1479684-A1 THIENOPYRIMIDINES, PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-11-24 EP disclosed
EP-0312283-A2 Di-or tripeptide renin inhibitors containing lactam conformational restrictions in ACHPA MERCK & CO. INC. (US) 1989-04-19 EP 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 (1 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-20050222174-A1 Thienopyrimidines, process for preparing the same and use thereof GNRHR, CRH, CYP19A1 CTSL 1355/4885CTSB 4410/4885CTSK 2750/4885

“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.