SCHEMBL12765244

SCHEMBL12765244

CNCC(=O)N1CCC[C@@H](N)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.42
▸ LMNA P02545 3/20 0.42
▸ KDM1A O60341 3/20 0.42
▸ MAOA P21397 1/20 0.42
▸ KMT2A Q03164 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ ARG1 P05089 1/20 0.36
▸ PPIB P23284 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KDM4E B2RXH2 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
SCHEMBL12765241 1.00 ALDH1A1 (0.42) ALDH1A1LMNAKDM1AMAOAKMT2A
SCHEMBL12765271 0.90 KDM1A (0.50) ALDH1A1LMNAKDM1AMAOANPC1
SCHEMBL12765231 0.90 KDM1A (0.50) ALDH1A1LMNAKDM1AMAOANPC1
SCHEMBL12765247 0.81 ALDH1A1 (0.44) ALDH1A1LMNAKMT2APOLBMEN1
SCHEMBL12765248 0.81 ALDH1A1 (0.44) ALDH1A1LMNAKMT2APOLBMEN1
SCHEMBL3402450 0.81 MEN1 (0.46) ALDH1A1LMNAKDM1AKMT2APOLB
SCHEMBL3402896 0.81 MEN1 (0.46) ALDH1A1LMNAKDM1AKMT2APOLB
SCHEMBL3399867 0.81 MEN1 (0.46) ALDH1A1LMNAKDM1AKMT2APOLB
SCHEMBL23698625 0.81 ITGB3 (0.43) ALDH1A1LMNAKDM1AKMT2APOLB
SCHEMBL24591418 0.79 ALDH1A1 (0.41) ALDH1A1LMNAKDM1AMAOAKMT2A

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 ALDH1A1 2554/4885LMNA 3314/4885KDM1A 4431/4885

“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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