SCHEMBL5423967

SCHEMBL5423967

C1CNCC2(CCNC2)CN1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
HIF1A Q16665 1/20 0.33
MAPT P10636 1/20 0.33
PDE4A P27815 1/20 0.33
KDR P35968 1/20 0.33
HTR2A P28223 1/20 0.33
CRBN Q96SW2 1/20 0.31
CYP11B1 P15538 1/20 0.30

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
SCHEMBL16877361 0.94 TSHR (0.39) TSHRHIF1AMAPTPDE4AKDR
SCHEMBL1796331 0.93
SCHEMBL5431066 0.90 TSHR (0.40) TSHRHIF1AMAPTPDE4AKDR
SCHEMBL473625 0.89
SCHEMBL5429962 0.87
SCHEMBL16877427 0.87 TSHR (0.39) TSHRHIF1AMAPTPDE4AKDR
SCHEMBL27150426 0.87 TSHR (0.39) TSHRHTR2A
SCHEMBL343237 0.86
SCHEMBL303389 0.86 TSHR (0.41) TSHRHIF1AMAPTPDE4AKDR
Hydrochloric Acid SCHEMBL15537634 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160326157-A1 MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-10 US disclosed
WO-2015103583-A1 MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-07-09 WO disclosed
US-20070275990-A1 Heterocyclic Spiro Compound ONO PHARMACEUTICAL CO., LTD. 2007-11-29 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 (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-20160326157-A1 MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE MGAM, BPGM, MRPL21 TSHR 4614/4885HIF1A 2599/4885MAPT 1912/4885
US-20070275990-A1 Heterocyclic Spiro Compound NR3C2, CBR1, CBR3 TSHR 254/4885HIF1A 1538/4885MAPT 4395/4885

“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.