SCHEMBL14948377

SCHEMBL14948377

O=C(Cl)[C@@H]1CCCN1C(=O)COc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 16/20 0.60
CPT2 P23786 15/20 0.60
CPT1B Q92523 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL5743864 0.89 ALDH1A1 (0.63) CPT1ACPT2CPT1BMEN1KMT2A
SCHEMBL3148212 0.89 ALDH1A1 (0.63) CPT1ACPT2CPT1BMEN1KMT2A
SCHEMBL11481661 0.86 CPT1A (0.60) CPT1ACPT2CPT1BMEN1KMT2A
SCHEMBL7167933 0.86 CPT1A (0.60) CPT1ACPT2CPT1BMEN1KMT2A
SCHEMBL11424895 0.85 CPT1A (0.67) CPT1ACPT2CPT1BALDH1A1SMN1; SMN2
SCHEMBL9094927 0.83 CPT2 (0.62) CPT1ACPT2CPT1B
SCHEMBL9094912 0.83 CPT2 (0.62) CPT1ACPT2CPT1B
SCHEMBL3187180 0.83 ALDH1A1 (0.61) CPT1ACPT2MEN1KMT2AALDH1A1
SCHEMBL3187156 0.83 ALDH1A1 (0.61) CPT1ACPT2MEN1KMT2AALDH1A1
SCHEMBL6794537 0.81 ALDH1A1 (0.57) CPT1ACPT2MEN1KMT2AALDH1A1

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-8815849-B2 Hetero-bicyclic derivatives as HCV inhibitors JANSSEN R&D IRELAND (IE) 2014-08-26 US disclosed
US-8815849-B2 Hetero-bicyclic derivatives as HCV inhibitors JANSSEN R&D IRELAND (IE) 2014-08-26 US disclosed
US-20130123244-A1 Hetero-Bicyclic Derivatives as HCV Inhibitors JANSSEN R&D IRELAND (IL) 2013-05-16 US disclosed
US-20130123244-A1 Hetero-Bicyclic Derivatives as HCV Inhibitors JANSSEN R&D IRELAND (IL) 2013-05-16 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-20130123244-A1 Hetero-Bicyclic Derivatives as HCV Inhibitors HAVCR2, ZC3HAV1, SUB1 CPT1A 385/4885CPT2 2665/4885CPT1B 3558/4885

“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.