SCHEMBL1229481

SCHEMBL1229481

COc1cc(I)c(CO)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.40
NNMT P40261 2/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36
GABRG1 Q8N1C3 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
SCHEMBL22123758 0.86 NNMT (0.36) DPP4NNMTGABRPGABRDGABRA1
SCHEMBL22122764 0.81 HTR1A (0.34) NNMTGABRPGABRDGABRA1GABRB1
SCHEMBL25378992 0.81 LMNA (0.40) NNMTGABRPGABRDGABRA1GABRB1
SCHEMBL4986376 0.79 DPP4 (0.47) DPP4NNMTPDE4APDE4BPDE4C
SCHEMBL22145148 0.79 NNMT (0.50) DPP4NNMTPDE4APDE4BPDE4C
SCHEMBL25378442 0.79 NOS3 (0.37) NNMTGABRPGABRDGABRA1GABRB1
SCHEMBL25281718 0.78 DPP4 (0.40) DPP4NNMTPDE4APDE4BPDE4C
SCHEMBL31573387 0.78 RECQL (0.41) DPP4NNMTPDE4APDE4BPDE4C
SCHEMBL10322295 0.78 DPP4 (0.43) DPP4NNMTPDE4APDE4BPDE4C
SCHEMBL17161176 0.78 DPP4 (0.40) DPP4NNMTPDE4APDE4BPDE4C

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
US-20220144848-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-05-12 US disclosed
US-20220144848-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-05-12 US disclosed
EP-3898634-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES Bayer Aktiengesellschaft (DE) 2021-10-27 EP disclosed
WO-2020127508-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2020-06-25 WO disclosed
WO-2020127508-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2020-06-25 WO disclosed
EP-2488530-A1 SPIROCYCLIC PIPERIDINE DERIVATIVES USEFUL AS RENIN INHIBITORS Merck Canada Inc. (CA) 2012-08-22 EP disclosed
US-20120202837-A1 SPIROCYCLIC PIPERIDINE DERIVATIVES USEFUL AS RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-08-09 US disclosed
US-20120190701-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-07-26 US disclosed
EP-2467385-A1 RENIN INHIBITORS Merck Canada Inc. (CA) 2012-06-27 EP disclosed
WO-2011057382-A1 SPIROCYCLIC PIPERIDINE DERIVATIVES USEFUL AS RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2011-05-19 WO disclosed
WO-2011020193-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2011-02-24 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-20120202837-A1 SPIROCYCLIC PIPERIDINE DERIVATIVES USEFUL AS RENIN INHIBITORS REN, AGTR1, AGTR2 DPP4 677/4885NNMT 3436/4885PDE4A 2302/4885
US-20220144848-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES MVD, VASP, SELP DPP4 457/4885NNMT 532/4885PDE4A 1050/4885
US-20120190701-A1 RENIN INHIBITORS REN, ACE, AGTR1 DPP4 411/4885NNMT 3700/4885PDE4A 2112/4885

“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.