SCHEMBL91436

SCHEMBL91436

COc1cc(CCNCC2CC2C)ccc1OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.64
HTR1A P08908 1/20 0.57
HTR7 P34969 1/20 0.57
HTR6 P50406 1/20 0.57
NLRP3 Q96P20 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
KDM4E B2RXH2 3/20 0.56
LMNA P02545 3/20 0.56
HTT P42858 2/20 0.56
ALDH1A1 P00352 1/20 0.56
KMT2A Q03164 2/20 0.55
NPY1R P25929 1/20 0.55
NPY2R P49146 1/20 0.55
MEN1 O00255 1/20 0.54
MTNR1A P48039 2/20 0.54
MTNR1B P49286 2/20 0.54
SLC2A1 P11166 1/20 0.53
NPC1 O15118 1/20 0.53
PKM P14618 1/20 0.53
RAB9A P51151 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
SCHEMBL92155 0.88 KMT2A (0.52) BCHEHTR1AHTR7HTR6NLRP3
SCHEMBL69161 0.86 BCHE (0.69) BCHEHTR1AHTR7HTR6NLRP3
SCHEMBL91619 0.81 BCHE (0.64) BCHECYP2D6
SCHEMBL19532621 0.78 BCHE (1.00) BCHEHTR1AHTR7HTR6NLRP3
SCHEMBL14755327 0.77 BCHE (0.63) BCHEHTR1AHTR7HTR6NLRP3
SCHEMBL2018777 0.77 HTR2A (0.51) HTR1ASMN1; SMN2LMNAALDH1A1NPC1
Hydrochloric Acid SCHEMBL4949263 0.76 BCHE (0.77) BCHEHTR1AHTR7HTR6NLRP3
SCHEMBL3051565 0.76 LMNA (0.74) BCHEHTR1AHTR7HTR6NLRP3
SCHEMBL9416614 0.75 LMNA (0.73) BCHEHTR1AHTR7HTR6NLRP3
Hydrochloric Acid SCHEMBL7272730 0.75 SLC2A1 (0.60) BCHESMN1; SMN2KDM4ELMNAHTT

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-8129427-B2 2-phenylethylamino derivatives as calcium and/or sodium channel modulators NEWRON PHARMACEUTICALS S.P.A. (IT) 2012-03-06 US disclosed
US-20110046129-A1 2-Phenylethylamino Derivatives as Calcium and/or Sodium Channel Modulators NEWRON PHARMACEUTICALS S.P.A. (IT) 2011-02-24 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-20110046129-A1 2-Phenylethylamino Derivatives as Calcium and/or Sodium Channel Modulators CACNA1A, CACNA1I, KCNN2 BCHE 2604/4885HTR1A 436/4885HTR7 676/4885

“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.