SCHEMBL1994688

SCHEMBL1994688

CC(O)c1ncc2n1CCN(Cc1ccccc1)C2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MC4R P32245 1/20 0.41
COMT P21964 1/20 0.41
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
CALCRL Q16602 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 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
SCHEMBL5775595 0.81 SIGMAR1 (0.50) SIGMAR1MC4RCOMTLMNAALDH1A1
SCHEMBL5773487 0.77 SIGMAR1 (0.46) SIGMAR1KDM4EMC4RCOMTLMNA
SCHEMBL5778759 0.77 SIGMAR1 (0.46) SIGMAR1MC4RCOMTLMNAALDH1A1
SCHEMBL5774404 0.77 CALCRL (0.43) KDM4ECOMTMEN1KMT2AALDH1A1
SCHEMBL5776436 0.77 SIGMAR1 (0.42) SIGMAR1MC4RCOMTLMNAMEN1
SCHEMBL5778612 0.77 SIGMAR1 (0.42) SIGMAR1MC4RCOMTLMNAMEN1
SCHEMBL23268618 0.77 SIGMAR1 (0.49) SIGMAR1MC4RCOMTLMNAMEN1
SCHEMBL10095281 0.77 SIGMAR1 (0.49) SIGMAR1MC4RCOMTLMNAALDH1A1
SCHEMBL5776762 0.77 SIGMAR1 (0.49) SIGMAR1MC4RCOMTLMNAALDH1A1
SCHEMBL15648115 0.76 FAAH (0.38) KDM4ECOMTKMT2AALDH1A1CALCRL

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
WO-2011079105-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 WO disclosed
WO-2011079105-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 WO disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
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 512/4885KDM4E 3351/4885MC4R 103/4885

“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.