SCHEMBL12765239

SCHEMBL12765239

CNCC(=O)N1CC[C@H](O)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 5/20 0.44
▸ DPP7 Q9UHL4 2/20 0.41
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ SLC6A2 P23975 2/20 0.39
▸ SLC6A4 P31645 2/20 0.39
▸ SLC6A3 Q01959 2/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ CHRM2 P08172 1/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ ARG1 P05089 1/20 0.35
▸ HRH2 P25021 1/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL12765238 1.00 DPP4 (0.44) DPP4DPP7CYP3A4CYP2D6SLC6A2
SCHEMBL24157448 1.00 DPP4 (0.44) DPP4DPP7CYP3A4CYP2D6SLC6A2
SCHEMBL12765247 0.89 ALDH1A1 (0.44) DPP4DPP7CHRM2CHRM4CHRM1
SCHEMBL12765248 0.89 ALDH1A1 (0.44) DPP4DPP7CHRM2CHRM4CHRM1
SCHEMBL13119145 0.89 ALDH1A1 (0.41) DPP4CHRM2CHRM4CHRM1HRH2
SCHEMBL25738639 0.84 ARG1 (0.38) ARG1HRH2HRH1
SCHEMBL13188562 0.82 CHRM2 (0.42) DPP4DPP7CYP3A4CYP2D6SLC6A2
SCHEMBL24456549 0.81 ALDH1A1 (0.50) DPP4DPP7ALDH1A1NPC1LMNA
SCHEMBL24710038 0.81 DPP4 (0.48) DPP4DPP7CYP3A4CYP2D6SLC6A2
SCHEMBL25202270 0.80 DPP4 (0.40) DPP4DPP7CHRM2CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902203-B2 Anti-infective agents ABBOTT LABORATORIES, INC. (US) 2011-03-08 — — US disclosed
US-7538105-B2 Anti-infective agents ABBOTT LABORATORIES (US) 2009-05-26 — — US disclosed
US-20080193413-A1 Anti-Infective Agents ABBOTT LABORATORIES (US) 2008-08-14 — — US disclosed
US-7378414-B2 Viricides for infections caused by an RNA-containing virus; enzyme inhibitors for a hepatitis C virus (HCV) polymerase; inhibiting HCV viral replication; liver cirrhosis; e. g., 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,1-dipropyl-2(1H)-naphthalenone ABBOTT LABORATORIES (US) 2008-05-27 — — 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 (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-20080193413-A1 Anti-Infective Agents POLI, RPL5, POLRMT DPP4 708/4885DPP7 476/4885CYP3A4 581/4885

“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.

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