SCHEMBL13406708

SCHEMBL13406708

Cc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
TSHR P16473 4/20 0.63
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
POLB P06746 2/20 0.61
SLC6A7 Q99884 1/20 0.61
LMNA P02545 3/20 0.58
USP2 O75604 2/20 0.58
MAPT P10636 2/20 0.58
MAPK1 P28482 1/20 0.58
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
DRD2 P14416 1/20 0.52
HTR2A P28223 1/20 0.52

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
SCHEMBL5909022 0.86 SMN1; SMN2 (0.63) ALDH1A1TSHRMEN1KMT2APOLB
SCHEMBL21045471 0.84 SLC6A7 (0.53) ALDH1A1TSHRMEN1KMT2APOLB
SCHEMBL27909520 0.83 POLB (0.65) ALDH1A1TSHRMEN1KMT2APOLB
SCHEMBL5909237 0.83 KDM4E (0.74) ALDH1A1TSHRMEN1KMT2APOLB
SCHEMBL3866714 0.82 USP30 (0.54) ALDH1A1TSHRKMT2APOLBLMNA
SCHEMBL10721777 0.82 MEN1 (0.87) ALDH1A1TSHRMEN1KMT2APOLB
SCHEMBL26458620 0.81 SLC6A7 (0.63) ALDH1A1TSHRMEN1KMT2ASLC6A7
SCHEMBL15302690 0.81 MEN1 (0.58) ALDH1A1TSHRMEN1KMT2APOLB
SCHEMBL5908983 0.81 GRM5 (0.58) TSHRMEN1KMT2APOLBALOX15
SCHEMBL10721885 0.81 POLB (0.74) ALDH1A1TSHRMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772291-B2 Multicyclic compounds and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2014-07-08 US disclosed
US-20100081691-A1 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2010-04-01 US disclosed
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA LEXICON PHARMACEUTICALS, INC. 2009-12-10 US disclosed
US-20080153811-A1 methods for treating, managing and preventing cognitive impairment associated with various diseases and disorders, age-associated memory impairment, and dementia. LEXICON PHARMACEUTICALS, INC. 2008-06-26 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 (3 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-20100081691-A1 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE GRIN2C, CHAT, COMT ALDH1A1 1258/4885TSHR 4163/4885MEN1 1568/4885
US-20080153811-A1 methods for treating, managing and preventing cognitive impairment associated with various diseases and disorders, age-associated memory impairment, and dementia. CHAT, PSEN2, PSEN1 ALDH1A1 2105/4885TSHR 4433/4885MEN1 2823/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A ALDH1A1 2253/4885TSHR 2746/4885MEN1 4522/4885

“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.