SCHEMBL1999832

SCHEMBL1999832

CN(C)Cc1ncc2n1CCN(Cc1ccccc1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.42
MC4R P32245 1/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
MCL1 Q07820 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CXCR4 P61073 2/20 0.38

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
SCHEMBL5773487 0.85 SIGMAR1 (0.46) SIGMAR1MC4RALDH1A1LMNAPOLB
SCHEMBL5778759 0.83 SIGMAR1 (0.46) SIGMAR1MC4RALDH1A1LMNAPOLB
SCHEMBL5775595 0.81 SIGMAR1 (0.50) SIGMAR1MC4RALDH1A1LMNAPOLB
SCHEMBL5773600 0.79 NPC1 (0.46) SIGMAR1ALDH1A1LMNAKDM4ENPC1
SCHEMBL16835302 0.79 SIGMAR1 (0.41) SIGMAR1MC4RALDH1A1LMNAPOLB
SCHEMBL23268618 0.77 SIGMAR1 (0.49) SIGMAR1MC4RALDH1A1LMNAPOLB
SCHEMBL10095281 0.77 SIGMAR1 (0.49) SIGMAR1MC4RALDH1A1LMNAPOLB
SCHEMBL5776762 0.77 SIGMAR1 (0.49) SIGMAR1MC4RALDH1A1LMNAPOLB
SCHEMBL1290485 0.77 HTR1A (0.43) ALDH1A1SMN1; SMN2COMT
SCHEMBL1290487 0.77 COMT (0.41) SIGMAR1ALDH1A1ADORA2AADORA1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 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-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO SIGMAR1 512/4885MC4R 103/4885ALDH1A1 297/4885

“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.