SCHEMBL1965700

SCHEMBL1965700

COc1ccc(CCNCC2CC2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
ATM Q13315 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.58
MAPT P10636 1/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 3/20 0.56
GLA P06280 1/20 0.56
ADRB2 P07550 2/20 0.54
EPHX1 P07099 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
LMNA P02545 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
SLC22A1 O15245 1/20 0.53
CHRM2 P08172 1/20 0.53
ADRB1 P08588 1/20 0.53

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
SCHEMBL13438704 0.93 KMT2A (0.53) POLBATMSMN1; SMN2MAPTKMT2A
SCHEMBL11934839 0.93 KMT2A (0.53) POLBATMSMN1; SMN2MAPTKMT2A
Hydrochloric Acid SCHEMBL7272730 0.92 SLC2A1 (0.60) SMN1; SMN2MAPTKMT2AMEN1ALDH1A1
SCHEMBL1967751 0.90 CALM1 (0.53) POLBATMSMN1; SMN2MAPTKMT2A
SCHEMBL1970788 0.90 KMT2A (0.56) POLBATMSMN1; SMN2MAPTKMT2A
SCHEMBL1970322 0.90 POLB (0.56) POLBATMSMN1; SMN2MAPTKMT2A
SCHEMBL1969543 0.88 TAAR1 (0.56) GLAADRB2LMNATSHR
SCHEMBL1968618 0.88 PKM (0.47) POLBATMSMN1; SMN2MAPTKMT2A
SCHEMBL2403138 0.88 KMT2A (0.47) POLBATMSMN1; SMN2MAPTKMT2A
SCHEMBL1969966 0.88 RECQL (0.48) POLBATMSMN1; SMN2MAPTKMT2A

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 POLB 4374/4885ATM 4794/4885SMN1; SMN2 3751/4885

“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.