SCHEMBL1971950

SCHEMBL1971950

Cc1ccc2c(CCNCC3CC3)c[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.56
MTNR1A P48039 2/20 0.48
MTNR1B P49286 2/20 0.48
BCHE P06276 3/20 0.46
HTR6 P50406 2/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTR1A P08908 1/20 0.46
HTR7 P34969 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
ACHE P22303 2/20 0.44
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL1976170 0.90 MTNR1A (0.61) HTR2AMTNR1AMTNR1BHTR6MEN1
SCHEMBL1969257 0.84 HTR6 (0.62) HTR2AMTNR1AMTNR1BBCHEHTR6
SCHEMBL2405163 0.84 GPR84 (0.54) HTR2AMTNR1AMTNR1BBCHEHTR6
SCHEMBL1970281 0.84 MTNR1A (0.63) HTR2AMTNR1AMTNR1BHTR6MEN1
SCHEMBL1968351 0.81 BCHE (0.67) HTR2AMTNR1ABCHEMEN1KMT2A
SCHEMBL11992198 0.79 CHRNB2 (0.70) HTR2AMTNR1AMTNR1BCHRNB2CHRNA7
SCHEMBL9527900 0.78 HTR2A (0.58) HTR2AMTNR1AMTNR1BHTR6CHRNB2
SCHEMBL2402869 0.78 GPR84 (0.51) MTNR1AMTNR1BBCHEHTR6HTR1A
SCHEMBL10119675 0.77 MTNR1A (0.58) HTR2AMTNR1AMTNR1BHTR6MEN1
SCHEMBL2409563 0.76 HTR1A (0.54) HTR2ABCHEHTR6MEN1KMT2A

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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 HTR2A 46/4885MTNR1A 23/4885MTNR1B 22/4885

“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.