SCHEMBL4941906

SCHEMBL4941906

Cl/C=C1\CCN(c2nc3ccccc3[nH]2)C1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.56
ACHE P22303 2/20 0.56
HTR3A P46098 1/20 0.55
TP53 P04637 2/20 0.54
MAPT P10636 2/20 0.52
RAB9A P51151 2/20 0.52
TRPC3 Q13507 1/20 0.51
HDAC11 Q96DB2 4/20 0.48
HDAC6 Q9UBN7 4/20 0.48
SORD Q00796 1/20 0.46
NPY5R Q15761 1/20 0.44
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDE10A Q9Y233 1/20 0.43
HTR2B P41595 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
SCHEMBL4941909 1.00 BCHE (0.56) BCHEACHEHTR3ATP53MAPT
SCHEMBL23771247 0.78 HDAC11 (0.63) BCHEACHEHTR3ATP53MAPT
SCHEMBL21047796 0.78 BCHE (0.60) BCHEACHEHTR3ATP53MAPT
SCHEMBL21047636 0.75 BCHE (0.69) BCHEACHEHTR3ATP53MAPT
SCHEMBL2676103 0.74 BCHE (0.96) BCHEACHEHTR3ATP53MAPT
SCHEMBL2674037 0.74 BCHE (0.90) BCHEACHEHTR3ATP53MAPT
SCHEMBL21047630 0.73 BCHE (0.66) BCHEACHEHTR3ATP53MAPT
SCHEMBL717865 0.72 BCHE (1.00) BCHEACHEHTR3ATP53MAPT
SCHEMBL2241920 0.72 BCHE (1.00) BCHEACHEHTR3ATP53MAPT
SCHEMBL531762 0.71 HTR3A (1.00) BCHEACHEHTR3ATP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2008-07-10 US disclosed
US-7211601-B2 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2007-05-01 US disclosed
EP-1268419-B1 PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2006-06-21 EP disclosed
US-20030212012-A1 Pharmaceutically active pyrrolidine derivatives MERCK SERONO SA (CH) 2003-11-13 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 (2 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-20030212012-A1 Pharmaceutically active pyrrolidine derivatives OXTR, CNR1, PRLHR BCHE 3719/4885ACHE 3762/4885HTR3A 1066/4885
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 BCHE 3814/4885ACHE 3511/4885HTR3A 990/4885

“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.