SCHEMBL2006877

SCHEMBL2006877

C[C@@H]1CN(Cc2ccc(Cl)nc2)C[C@H](C)N1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
ATM Q13315 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CHRNA7 P36544 2/20 0.47
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HRH4 Q9H3N8 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
CHRNA1 P02708 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
MLNR O43193 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL4648003 1.00 KMT2A (0.51) KMT2AMEN1ATMALDH1A1CHRNA7
SCHEMBL15615152 0.83 PDE1B (0.43) HRH4HRH3MLNR
SCHEMBL611124 0.79 KMT2A (0.51) KMT2AMEN1ATMALDH1A1CHRNA7
SCHEMBL18320629 0.78 MLNR (0.41) HRH4HRH3MLNR
SCHEMBL5044718 0.78 ALDH1A1 (0.68) KMT2AMEN1ATMALDH1A1CHRNA7
SCHEMBL4592039 0.77 HRH3 (0.63) KMT2AMEN1ATMALDH1A1CHRNA7
SCHEMBL20803929 0.76 MLNR (0.47) ALDH1A1LMNAHRH4HRH3MLNR
SCHEMBL12499778 0.76 SIGMAR1 (0.48) ALDH1A1HRH4HRH3MLNR
SCHEMBL3396309 0.76 LMNA (0.51) ALDH1A1LMNAHRH4HRH3MLNR
SCHEMBL5059571 0.76 MLNR (0.56) HRH4HRH3MLNR

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-7964602-B2 Biaryl compounds useful as agonists of the Gpr38 receptor GLAXO GROUP LIMITED (GB) 2011-06-21 US disclosed
EP-1960390-B1 BIARYL COMPOUNDS USEFUL AS AGONISTS OF THE GPR38 RECEPTOR GLAXO GROUP LTD (GB) 2010-07-21 EP disclosed
US-20080306083-A1 Biaryl Compounds Useful as Agonists of the Gpr38 Receptor GLAXO GROUP LIMITED 2008-12-11 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-20080306083-A1 Biaryl Compounds Useful as Agonists of the Gpr38 Receptor GPR88, GPR68, GPBAR1 KMT2A 3883/4885MEN1 3916/4885ATM 4357/4885

“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.