SCHEMBL10083301

SCHEMBL10083301

O=C(N[C@H](CN1CCCC1)c1ccccc1)C1(c2cccc(O)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD11B1 P28845 2/20 0.40
MEN1 O00255 1/20 0.40
GPR88 Q9GZN0 1/20 0.40
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
AURKB Q96GD4 1/20 0.40
MITF O75030 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
GFER P55789 1/20 0.39
PAX8 Q06710 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39

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
Hydrochloric Acid SCHEMBL15380863 0.99 RAB9A (0.41) KMT2ANPC1L3MBTL1HSD11B1MEN1
Hydrochloric Acid SCHEMBL433076 0.99 RAB9A (0.41) KMT2ANPC1L3MBTL1HSD11B1MEN1
SCHEMBL435831 0.90 HSD11B1 (0.50) KMT2ANPC1L3MBTL1HSD11B1MEN1
SCHEMBL15385492 0.90 HSD11B1 (0.50) KMT2ANPC1L3MBTL1HSD11B1MEN1
Hydrochloric Acid SCHEMBL15380695 0.89 HSD11B1 (0.49) KMT2ANPC1L3MBTL1HSD11B1MEN1
Hydrochloric Acid SCHEMBL434246 0.89 HSD11B1 (0.49) KMT2ANPC1L3MBTL1HSD11B1MEN1
SCHEMBL432280 0.88 ALDH1A1 (0.44) KMT2ANPC1L3MBTL1HSD11B1MEN1
SCHEMBL15380628 0.88 ALDH1A1 (0.44) KMT2ANPC1L3MBTL1HSD11B1MEN1
SCHEMBL10084059 0.88 HDAC4 (0.49) KMT2ANPC1L3MBTL1HSD11B1MEN1
Hydrochloric Acid SCHEMBL459715 0.87 HDAC4 (0.48) KMT2ANPC1L3MBTL1MEN1GPR88

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-9303027-B2 Kappa opioid receptor agonists DR. REDDY'S LABORATORIES LTD. (IN) 2016-04-05 US disclosed
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
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 KMT2A 1079/4885NPC1 1429/4885L3MBTL1 1331/4885

“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.