SCHEMBL16505100

SCHEMBL16505100

O=C(c1ccccc1)C1CC2C=CC1N(C(=O)O)C2

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
PIK3CD O00329 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 1/20 0.35
RORC P51449 1/20 0.34
GAA P10253 1/20 0.34
ABCB1 P08183 1/20 0.33

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
SCHEMBL19630869 0.86 PDE4B (0.39) KMT2AMEN1PIK3CDCYP1A2CYP3A4
SCHEMBL16522901 0.84 KMT2A (0.41) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL19611340 0.80
SCHEMBL19611438 0.76 SMN1; SMN2 (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL16504539 0.71 MCL1 (0.31)
SCHEMBL14449130 0.71 KDM4E (0.49) KMT2ARECQLALDH1A1MAPT
SCHEMBL818204 0.71 KDM4E (0.49) KMT2ARECQLALDH1A1MAPT
SCHEMBL8319536 0.71
SCHEMBL32677927 0.70 SMN1; SMN2 (0.47) KMT2AMEN1ALDH1A1GAA
SCHEMBL32677926 0.70 SMN1; SMN2 (0.47) KMT2AMEN1ALDH1A1GAA

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-11840541-B2 Opioid receptor modulators THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-12-12 US disclosed
US-20230271976-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-08-31 US disclosed
US-9988377-B2 Small molecule inducers of GDNF as potential new therapeutics for neuropsychiatric disorders THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-06-05 US disclosed
US-20170334923-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-11-23 US disclosed
US-20150056699-A1 SMALL MOLECULE INDUCERS OF GDNF AS POTENTIAL NEW THERAPEUTICS FOR NEUROPSYCHIATRIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-02-26 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 (4 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-20170334923-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 KMT2A 1649/4885MEN1 4864/4885PIK3CD 3884/4885
US-20150056699-A1 SMALL MOLECULE INDUCERS OF GDNF AS POTENTIAL NEW THERAPEUTICS FOR NEUROPSYCHIATRIC DISORDERS GFRA1, GFRA2, GFRA3 KMT2A 1157/4885MEN1 3610/4885PIK3CD 4724/4885
US-20230271976-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 KMT2A 1891/4885MEN1 4819/4885PIK3CD 4173/4885
US-11840541-B2 Opioid receptor modulators OPRM1, OPRL1, OPRD1 KMT2A 1649/4885MEN1 4864/4885PIK3CD 3884/4885

“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.