SCHEMBL12765271

SCHEMBL12765271

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 6/20 0.50
▸ MAOA P21397 4/20 0.50
▸ GNAI3 P08754 1/20 0.41
▸ GNAO1 P09471 1/20 0.41
▸ GNAI1 P63096 1/20 0.41
▸ ARG1 P05089 1/20 0.37
▸ MAOB P27338 3/20 0.36
▸ CACNA1B Q00975 2/20 0.35
▸ HRH2 P25021 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ DPP4 P27487 2/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP9 Q86TI2 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL12765231 1.00 KDM1A (0.50) KDM1AMAOAGNAI3GNAO1GNAI1
SCHEMBL12765244 0.90 ALDH1A1 (0.42) KDM1AMAOAARG1ALDH1A1NPC1
SCHEMBL12765241 0.90 ALDH1A1 (0.42) KDM1AMAOAARG1ALDH1A1NPC1
SCHEMBL12450224 0.89 GNAI3 (0.51) KDM1AMAOAGNAI3GNAO1GNAI1
SCHEMBL20399024 0.81 KDM1A (0.52) KDM1AMAOAGNAI3GNAO1GNAI1
SCHEMBL21531205 0.81 KDM1A (0.52) KDM1AMAOAGNAI3GNAO1GNAI1
SCHEMBL24157448 0.80 DPP4 (0.44) ARG1HRH2HRH1ALDH1A1NPC1
SCHEMBL12765239 0.80 DPP4 (0.44) ARG1HRH2HRH1ALDH1A1NPC1
SCHEMBL24456549 0.80 ALDH1A1 (0.50) ALDH1A1NPC1LMNADPP4DPP8
SCHEMBL12765238 0.80 DPP4 (0.44) ARG1HRH2HRH1ALDH1A1NPC1

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 KDM1A 4431/4885MAOA 1895/4885GNAI3 2791/4885

“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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