SCHEMBL6737633

SCHEMBL6737633

CCOC(=O)CCN1CCN(COC)C1=C(C#N)C#N

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.41
TSHR P16473 3/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
TNF P01375 1/20 0.33
KAT2B Q92831 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL6735212 0.79 KAT2B (0.38) HRH3KDM4ETNFKAT2B
SCHEMBL6736136 0.74 TSHR (0.46) TSHRALDH1A1LMNAPOLBTNF
SCHEMBL7068440 0.66 KAT2B (0.43) TSHRALDH1A1KDM4ELMNAPOLB
SCHEMBL15783530 0.65 TSHR (0.36) HRH3TSHRALDH1A1LMNAPOLB
SCHEMBL29700358 0.64 LMNA (0.49) HRH3TSHRALDH1A1LMNAPOLB
SCHEMBL674463 0.64 LMNA (0.49) HRH3TSHRALDH1A1LMNAPOLB
SCHEMBL8957048 0.64 LMNA (0.49) HRH3TSHRALDH1A1LMNAPOLB
SCHEMBL23147045 0.64 ALDH1A1 (0.40) HRH3TSHRALDH1A1KDM4ELMNA
SCHEMBL10648648 0.64 KMT2A (0.48) TSHRALDH1A1LMNAKAT2BMAPT
SCHEMBL26097101 0.64 TSHR (0.54) TSHRALDH1A1LMNAPOLBTNF

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-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 HRH3 530/4885TSHR 2768/4885ALDH1A1 569/4885
US-20030225288-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 HRH3 530/4885TSHR 2768/4885ALDH1A1 569/4885
US-20040122026-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 HRH3 530/4885TSHR 2768/4885ALDH1A1 569/4885

“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.