SCHEMBL6736136

SCHEMBL6736136

CCOC(=O)CCN1CCNC1=C(C#N)C#N

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
LMNA P02545 2/20 0.35
POLB P06746 3/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 6/20 0.35
MAPT P10636 2/20 0.34
TNF P01375 2/20 0.33
KAT2B Q92831 1/20 0.33
CNR2 P34972 2/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL27701295 0.86 RAB9A (0.35) TSHRKMT2AALDH1A1MAPTKAT2B
SCHEMBL27701253 0.81 TSHR (0.45) TSHRLMNAPOLBKMT2AALDH1A1
SCHEMBL26097101 0.79 TSHR (0.54) TSHRLMNAPOLBKMT2AALDH1A1
SCHEMBL6737633 0.74 HRH3 (0.41) TSHRLMNAPOLBALDH1A1MAPT
SCHEMBL6735212 0.72 KAT2B (0.38) KMT2ATNFKAT2B
SCHEMBL4394520 0.71 HRH3 (0.37) KMT2AALDH1A1
SCHEMBL5032385 0.70 TSHR (0.44) TSHRLMNAPOLBKMT2AALDH1A1
Hydrochloric Acid SCHEMBL4123134 0.69 TSHR (0.43) TSHRLMNAPOLBKMT2AALDH1A1
SCHEMBL8168251 0.68 TNF (0.49) TSHRPOLBALDH1A1TNF
SCHEMBL4385456 0.67 TSHR (0.64) TSHRLMNAPOLBKAT2B

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
CN-101041636-B Method for synthesizing heterocyclic ketenes amine condensation derivatives CHINESE ACAD INST CHEMISTRY 2010-05-12 CN disclosed
CN-101041636-A Method for synthesizing heterocyclic ketenes amine condensation derivatives CHINESE ACAD INST CHEMISTRY (CN) 2007-09-26 CN disclosed
US-20040127507-A1 Imidazolidine compounds MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-07-01 US disclosed
US-20040122026-A1 Imidazolidine compounds MILLENNIUM PHARMACEUTICALS, INC. 2004-06-24 US disclosed
US-20030225288-A1 Imidazolidine compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-12-04 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-20040127507-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 TSHR 2768/4885LMNA 4169/4885POLB 3185/4885
US-20030225288-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 TSHR 2768/4885LMNA 4169/4885POLB 3185/4885
US-20040122026-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 TSHR 2768/4885LMNA 4169/4885POLB 3185/4885

“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.