SCHEMBL92155

SCHEMBL92155

COc1cc(CCNCC2CC2C)ccc1OCc1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
MEN1 O00255 3/20 0.52
BCHE P06276 2/20 0.50
PLK1 P53350 1/20 0.48
NLRP3 Q96P20 1/20 0.48
HTR2C P28335 4/20 0.47
HTR2A P28223 3/20 0.47
HTR2B P41595 1/20 0.47
HTR1A P08908 1/20 0.46
HTR7 P34969 1/20 0.46
HTR6 P50406 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
SLC6A4 P31645 1/20 0.44

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
SCHEMBL91436 0.88 BCHE (0.64) KMT2AMEN1BCHEPLK1NLRP3
SCHEMBL68512 0.88 MEN1 (0.56) KMT2AMEN1BCHEPLK1NLRP3
SCHEMBL70321 0.82 BCHE (0.67) KMT2AMEN1BCHEPLK1NLRP3
SCHEMBL67434 0.79 KMT2A (0.58) KMT2AMEN1BCHEKDM4EMTNR1A
Hydrochloric Acid SCHEMBL67433 0.78 KMT2A (0.57) KMT2AMEN1BCHENLRP3KDM4E
SCHEMBL69978 0.78 KMT2A (0.56) KMT2AMEN1BCHEKDM4EMTNR1A
SCHEMBL67265 0.77 MEN1 (0.58) KMT2AMEN1BCHEMTNR1AMTNR1B
Hydrochloric Acid SCHEMBL67812 0.77 KMT2A (0.56) KMT2AMEN1BCHENLRP3KDM4E
SCHEMBL69026 0.77 MAOB (0.63) KMT2AMEN1SMN1; SMN2KDM4ELMNA
Hydrochloric Acid SCHEMBL67734 0.76 MEN1 (0.57) KMT2AMEN1BCHEMTNR1AMTNR1B

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 KMT2A 1187/4885MEN1 1782/4885BCHE 2604/4885

“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.