SCHEMBL734585

SCHEMBL734585

O=C(NCCc1c[nH]c2ccccc12)Nc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 1.00
KMT2A Q03164 8/20 1.00
GOT1 P17174 8/20 0.81
MAPT P10636 8/20 0.79
SMN1; SMN2 Q16637 4/20 0.79
POLB P06746 1/20 0.74
LMNA P02545 2/20 0.71
ALOX15 P16050 1/20 0.71
ALDH1A1 P00352 1/20 0.70
NPC1 O15118 1/20 0.67
RAB9A P51151 1/20 0.67

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
SCHEMBL23925545 0.85 MAPT (0.76) MEN1KMT2AGOT1MAPTSMN1; SMN2
SCHEMBL26430630 0.85 MAPT (0.76) MEN1KMT2AGOT1MAPTSMN1; SMN2
SCHEMBL23925476 0.85 MAPT (0.76) MEN1KMT2AGOT1MAPTSMN1; SMN2
SCHEMBL6394942 0.84 MEN1 (0.76) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL23925495 0.84 GOT1 (1.00) MEN1KMT2AGOT1MAPTSMN1; SMN2
SCHEMBL11280301 0.84 MEN1 (0.71) MEN1KMT2AGOT1MAPTSMN1; SMN2
SCHEMBL1520004 0.84 MEN1 (0.81) MEN1KMT2AGOT1MAPTSMN1; SMN2
SCHEMBL13719678 0.84 MEN1 (0.72) MEN1KMT2AGOT1MAPTSMN1; SMN2
SCHEMBL735830 0.84 KMT2A (0.72) MEN1KMT2AGOT1MAPTSMN1; SMN2
SCHEMBL174362 0.82 MEN1 (0.72) MEN1KMT2AGOT1MAPTLMNA

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
CN-101516844-B 4-heteroaryl substituted 1-aminocyclohexane-1-and cyclohexene-1-derivatives having activity on opioid receptor systems GRUENENTHAL GMBH 2013-12-11 CN disclosed
US-8138187-B2 Substituted heteroaryl derivatives GRUENENTHAL GMBH (DE) 2012-03-20 US disclosed
US-20100009986-A1 SUBSTITUTED HETEROARYL DERIVATIVES GRUNENTHAL GMBH (DE) 2010-01-14 US disclosed
CN-101516844-A 4-heteroaryl substituted 1-aminocyclohexane-1-and cyclohexene-1-derivatives having activity on opioid receptor systems GRUENENTHAL GMBH (DE) 2009-08-26 CN disclosed
US-7576245-B2 Fluorous tagging and scavenging reactants and methods of synthesis and use thereof FLUOROUS TECHNOLOGIES INCORPORATED (US) 2009-08-18 US disclosed
US-7576245-B2 Fluorous tagging and scavenging reactants and methods of synthesis and use thereof FLUOROUS TECHNOLOGIES INCORPORATED (US) 2009-08-18 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-20100009986-A1 SUBSTITUTED HETEROARYL DERIVATIVES CYP3A43, HMGCR, ABCG2 MEN1 2253/4885KMT2A 2453/4885GOT1 366/4885

“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.