SCHEMBL1784905

SCHEMBL1784905

COc1cc(C(=O)NC2CCN(Cc3c[nH]c4ccccc34)CC2)cc(OC)c1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 6/20 0.59
KRAS P01116 1/20 0.59
ADRA2A P08913 1/20 0.59
ADRA2B P18089 1/20 0.59
ADRA2C P18825 1/20 0.59
ADRA1D P25100 1/20 0.59
ADRA1A P35348 1/20 0.59
ADRA1B P35368 1/20 0.59
SSTR5 P35346 3/20 0.58
SIGMAR1 Q99720 2/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
MCHR1 Q99705 2/20 0.53
CYP2D6 P10635 1/20 0.52
BCHE P06276 1/20 0.52
ACHE P22303 1/20 0.52
HTR4 Q13639 1/20 0.52
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52
DRD3 P35462 1/20 0.52

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
SCHEMBL1785298 0.86 SIGMAR1 (0.61) SOS1SSTR5SIGMAR1MEN1KMT2A
SCHEMBL1787153 0.84 SSTR5 (0.55) SSTR5KMT2AMCHR1ACHEDRD4
SCHEMBL1789890 0.83 MCHR1 (0.53) ADRA2AADRA2BADRA2CADRA1ASSTR5
SCHEMBL1787608 0.81 SSTR5 (0.58) SSTR5MCHR1ACHEDRD4
SCHEMBL12614652 0.81 SSTR5 (0.58) SSTR5MEN1KMT2AMCHR1HTR4
SCHEMBL1789399 0.81 MCHR1 (0.76) ADRA2AADRA2BADRA2CADRA1ASIGMAR1
SCHEMBL14319839 0.80 SIGMAR1 (0.73) SOS1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL1790544 0.80 SSTR5 (0.57) SSTR5MEN1KMT2AMCHR1ACHE
SCHEMBL11304016 0.79 SIGMAR1 (0.56) SOS1KRASADRA2AADRA2BADRA2C
SCHEMBL11307554 0.79 MEN1 (0.59) SOS1KRASADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124674-A1 5/5-OR 5/6-MEMBERED CONDENSED RING CYCLOALKYLAMINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US disclosed
EP-2319841-A1 (5-MEMBERED)-(5-MEMBERED) OR (5-MEMBERED)-(6-MEMBERED) FUSED RING CYCLOALKYLAMINE DERIVATIVE MSD K.K. (JP) 2011-05-11 EP 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-20110124674-A1 5/5-OR 5/6-MEMBERED CONDENSED RING CYCLOALKYLAMINE DERIVATIVE MCHR1, MC5R, MCHR2 SOS1 4007/4885KRAS 2837/4885ADRA2A 17/4885

“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.