SCHEMBL2335070

SCHEMBL2335070

CCNc1ccc(C(=O)NCCN(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 5/20 0.63
ALDH1A1 P00352 6/20 0.60
MAPT P10636 8/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
HTT P42858 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
NPSR1 Q6W5P4 1/20 0.54
LMNA P02545 2/20 0.51
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
PKM P14618 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
PTGER4 P35408 1/20 0.50
PRMT5 O14744 1/20 0.50
WDR77 Q9BQA1 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
THRB P10828 1/20 0.48
HDAC1 Q13547 1/20 0.48

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
SCHEMBL20982472 0.87 SMN1; SMN2 (0.65) ALDH1A1MAPTSMN1; SMN2HTTL3MBTL1
SCHEMBL2339865 0.86 HCAR3 (0.74) HCAR3ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL7971817 0.83 ALDH1A1 (0.63) HCAR3ALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL2336351 0.81 ALDH1A1 (0.68) ALDH1A1MAPTSMN1; SMN2HTTNPSR1
SCHEMBL10502410 0.80 HCAR3 (0.74) HCAR3ALDH1A1MAPTNPSR1KMT2A
SCHEMBL20982693 0.80 PRMT5 (0.60) ALDH1A1MAPTSMN1; SMN2L3MBTL1LMNA
SCHEMBL13091483 0.80 SMN1; SMN2 (0.66) ALDH1A1MAPTSMN1; SMN2HTTL3MBTL1
SCHEMBL16065199 0.80 MAPT (0.59) ALDH1A1MAPTSMN1; SMN2HTTL3MBTL1
SCHEMBL6926627 0.79 KMT2A (0.55) ALDH1A1MAPTSMN1; SMN2HTTNPSR1
SCHEMBL9725429 0.79 PKM (0.65) HCAR3ALDH1A1MAPTSMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465882-B1 HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2011-08-24 EP disclosed
US-7115640-B2 Heterocyclic modulators of nuclear receptors X-CEPTOR THERAPEUTICS, INC. (US) 2006-10-03 US disclosed
EP-1465882-A4 HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2005-04-06 EP disclosed
EP-1465882-A2 HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X-Ceptor Therapeutics, Inc. (US) 2004-10-13 EP disclosed
US-20040180942-A1 Heterocyclic modulators of nuclear receptors X-CEPTOR THERAPEUTICS, INC. 2004-09-16 US disclosed
US-6696473-B2 THIAZOLIDINONE DERIVATIVES; MODULATING CHOLESTEROL METABOLISM X-CEPTOR THERAPEUTICS, INC. 2004-02-24 US disclosed
WO-2003060078-A9 HETEROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2004-02-19 WO disclosed
US-20030212111-A1 Heterocyclic modulators of nuclear receptors AKARNA THERAPEUTICS, LTD. (GB) 2003-11-13 US disclosed
WO-2003060078-A2 HETEROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X-CEPTOR THERAPEUTICS, INC. (US) 2003-07-24 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 (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-20040180942-A1 Heterocyclic modulators of nuclear receptors NR1H2, NR1H3, NR1H4 HCAR3 79/4885ALDH1A1 2884/4885MAPT 4111/4885
US-20030212111-A1 Heterocyclic modulators of nuclear receptors NR1H2, NR1H3, NR1H4 HCAR3 79/4885ALDH1A1 2884/4885MAPT 4111/4885

“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.