SCHEMBL11955261

SCHEMBL11955261

COc1ccc(CC(N)COC(N)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.54
SLC6A4 P31645 1/20 0.53
CYP2C19 P33261 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 1/20 0.50
POLB P06746 1/20 0.48
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
PARP1 P09874 1/20 0.43
PARP10 Q53GL7 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
PARP4 Q9UKK3 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 1/20 0.42
EPHX2 P34913 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
Solriamfetol SCHEMBL30518821 0.87 NPC1 (0.50) LDHAPOLBCA1CA2ALDH1A1
SCHEMBL11947644 0.84 CYP1A2 (0.41) CYP1A2CYP2D6PARP10ALDH1A1PPARG
SCHEMBL11954751 0.84 LDHA (0.50) LDHASLC6A4CYP2C19CYP1A2CYP2D6
SCHEMBL11947645 0.82 SLC7A5 (0.51) CYP1A2CYP2D6CA2SMN1; SMN2KDM4E
SCHEMBL8540131 0.82 SLC7A5 (0.51) CYP1A2CYP2D6CA2SMN1; SMN2KDM4E
SCHEMBL11954752 0.82 LDHA (0.59) LDHACYP1A2CA1CA2ALDH1A1
Hydrochloric Acid SCHEMBL7459532 0.81 SLC7A5 (0.50) CYP1A2CYP2D6CA2SMN1; SMN2KDM4E
SCHEMBL11947637 0.81 SLC6A4 (0.58) SLC6A4CYP2C19CYP1A2CYP2D6CYP3A4
SCHEMBL28571030 0.81 ANPEP (0.46) CYP1A2CYP2D6CA1CA2PARP1
SCHEMBL28571026 0.81 ANPEP (0.46) CYP1A2CYP2D6CA1CA2PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232315-B2 Methods for treating drug addiction and improving addiction-related behavior SK BIOPHARMACEUTICALS CO., LTD. (KR) 2012-07-31 US disclosed
US-20100331332-A1 METHODS FOR TREATING DRUG ADDICTION AND IMPROVING ADDICTION-RELATED BEHAVIOR SK HOLDINGS CO., LTD. (KR) 2010-12-30 US disclosed
US-20100331332-A1 METHODS FOR TREATING DRUG ADDICTION AND IMPROVING ADDICTION-RELATED BEHAVIOR SK HOLDINGS CO., LTD. (KR) 2010-12-30 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-20100331332-A1 METHODS FOR TREATING DRUG ADDICTION AND IMPROVING ADDICTION-RELATED BEHAVIOR CES2, SLC6A3, CHAT LDHA 2450/4885SLC6A4 64/4885CYP2C19 3203/4885

“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.