SCHEMBL13804314

SCHEMBL13804314

CC(=O)[C@H]1CCCCN1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.57
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
OPRD1 P41143 1/20 0.52
MCHR1 Q99705 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
POLB P06746 2/20 0.50
SPHK1 Q9NYA1 1/20 0.50
CACNA1G O43497 1/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CD274 Q9NZQ7 1/20 0.48
HSD11B1 P28845 1/20 0.47

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
SCHEMBL14828717 1.00 CNR2 (0.57) CNR2MEN1KMT2ASMN1; SMN2OPRD1
SCHEMBL14598759 1.00 CNR2 (0.57) CNR2MEN1KMT2ASMN1; SMN2OPRD1
SCHEMBL9969600 0.95 NPSR1 (0.55) CNR2MEN1KMT2ASMN1; SMN2OPRD1
SCHEMBL12964221 0.95 NPSR1 (0.55) CNR2MEN1KMT2ASMN1; SMN2OPRD1
SCHEMBL14598757 0.95 NPSR1 (0.55) CNR2MEN1KMT2ASMN1; SMN2OPRD1
SCHEMBL3713831 0.88 SMN1; SMN2 (0.63) CNR2MEN1KMT2ASMN1; SMN2OPRD1
SCHEMBL3713829 0.88 SMN1; SMN2 (0.63) CNR2MEN1KMT2ASMN1; SMN2OPRD1
SCHEMBL16714062 0.88 SMN1; SMN2 (0.63) CNR2MEN1KMT2ASMN1; SMN2OPRD1
Hydrochloric Acid SCHEMBL7742897 0.86 SMN1; SMN2 (0.61) CNR2MEN1KMT2ASMN1; SMN2OPRD1
Hydrochloric Acid SCHEMBL2500262 0.86 SMN1; SMN2 (0.61) CNR2MEN1KMT2ASMN1; SMN2OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-06-18 US disclosed
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-06-18 US disclosed
WO-2009072643-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-11 WO disclosed
US-20070004646-A1 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-01-04 US disclosed
US-20070004646-A1 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-01-04 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 (2 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-20070004646-A1 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, ANPEP CNR2 4520/4885MEN1 3957/4885KMT2A 1140/4885
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof NTSR2, NTSR1, HNMT CNR2 15/4885MEN1 206/4885KMT2A 977/4885

“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.