SCHEMBL12486018

SCHEMBL12486018

NC(=O)C1CCCN1C[CH]c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 2/20 0.45
KDM4E B2RXH2 3/20 0.42
POLB P06746 2/20 0.42
PIM1 P11309 1/20 0.40
LMNA P02545 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
SCN3A Q9NY46 1/20 0.38
NPC1 O15118 1/20 0.38
JUN P05412 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL2911570 0.84 POLB (0.49) POLBLMNASPHK1SCN3AMAOA
SCHEMBL433070 0.84 POLB (0.49) POLBLMNASPHK1SCN3AMAOA
SCHEMBL4631881 0.81 POLB (0.46) POLBLMNAHPGDSPHK1SMN1; SMN2
SCHEMBL4705439 0.81 POLB (0.46) POLBLMNAHPGDSPHK1SMN1; SMN2
SCHEMBL13570385 0.73 VNN1 (0.45) VNN1KDM4EPOLBPIM1LMNA
SCHEMBL31173895 0.71 PIM1 (0.56) VNN1PIM1ALDH1A1SMN1; SMN2CHRNB2
SCHEMBL15665204 0.71 PIM1 (0.56) VNN1PIM1ALDH1A1SMN1; SMN2CHRNB2
SCHEMBL15664903 0.71 PIM1 (0.56) VNN1PIM1ALDH1A1SMN1; SMN2CHRNB2
SCHEMBL28570406 0.71 PIM1 (0.56) VNN1PIM1ALDH1A1SMN1; SMN2CHRNB2
SCHEMBL6169659 0.70 MAOB (0.68) VNN1KDM4EPOLBSPHK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9303027-B2 Kappa opioid receptor agonists DR. REDDY'S LABORATORIES LTD. (IN) 2016-04-05 US claimed
US-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES, INC. (US) 2013-11-14 US claimed
WO-2012012410-A2 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES LTD. (IN) 2012-01-26 WO claimed
US-9303027-B2 Kappa opioid receptor agonists DR. REDDY'S LABORATORIES LTD. (IN) 2016-04-05 US disclosed
US-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES, INC. (US) 2013-11-14 US disclosed
WO-2012012410-A2 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES LTD. (IN) 2012-01-26 WO 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-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS OPRK1, OPRL1, OPRD1 VNN1 4563/4885KDM4E 1394/4885POLB 2907/4885

“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.