SCHEMBL4700447

SCHEMBL4700447

NC(=O)c1ccc(CCN2CCN(CCO)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
KCNH2 Q12809 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR7 P34969 1/20 0.47
HTR6 P50406 1/20 0.47
MAOB P27338 1/20 0.46
KCNJ1 P48048 2/20 0.45
JAK2 O60674 1/20 0.44
SYK P43405 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
THRB P10828 2/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL4699834 0.87 SIGMAR1 (0.50) KCNH2MEN1KMT2AHTR2AHTR2C
SCHEMBL6644138 0.87 HRH3 (0.58) KCNH2MEN1KMT2AHTR2AHTR2C
SCHEMBL2761915 0.85 HRH3 (0.61) HTR2AHTR2CHTR7HTR6MAOB
SCHEMBL2762023 0.85 HRH3 (0.61) HTR2AHTR2CHTR7HTR6MAOB
SCHEMBL3514227 0.83 THRA (0.53) KMT2AHTR2AHTR2CHTR7HTR6
SCHEMBL4703775 0.82 KCNH2 (0.43) KCNH2MEN1KMT2AHTR2AHTR2C
SCHEMBL2761932 0.81 SPHK1 (0.57) KCNH2HTR2AHTR2CHTR7HTR6
SCHEMBL3233096 0.81 MEN1 (0.53) MEN1KMT2AHTR7SYK
SCHEMBL3233139 0.81 ALDH1A1 (0.65) KCNH2MEN1KMT2AHTR2ASIGMAR1
SCHEMBL4754639 0.80 SIGMAR1 (0.63) TSHRKCNH2KCNJ1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 US disclosed
EP-1960382-A1 HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE MODULATORS ChemBridge Research Laboratories, Inc. (US) 2008-08-27 EP disclosed
WO-2007056155-A1 HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2007-05-18 WO 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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 TSHR 2915/4885KCNH2 4623/4885MEN1 1879/4885

“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.