SCHEMBL5773600

SCHEMBL5773600

c1ccc(CN2CCn3c(cnc3CN3CCOCC3)C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
SIGMAR1 Q99720 3/20 0.45
ALDH1A1 P00352 5/20 0.45
TSHR P16473 1/20 0.44
HTT P42858 3/20 0.43
HRH3 Q9Y5N1 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DRD4 P21917 2/20 0.42
AVPR1A P37288 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
TMEM97 Q5BJF2 2/20 0.41

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
SCHEMBL5775430 0.82 SIGMAR1 (0.46) NPC1SIGMAR1ALDH1A1TSHRKDM4E
SCHEMBL5778759 0.82 SIGMAR1 (0.46) NPC1SIGMAR1ALDH1A1LMNADRD4
SCHEMBL1709877 0.82 SIGMAR1 (0.46) NPC1SIGMAR1ALDH1A1LMNADRD4
SCHEMBL5773487 0.82 SIGMAR1 (0.46) NPC1SIGMAR1ALDH1A1KDM4ELMNA
SCHEMBL1999832 0.79 SIGMAR1 (0.42) NPC1SIGMAR1ALDH1A1HRH3KDM4E
SCHEMBL5775595 0.77 SIGMAR1 (0.50) NPC1SIGMAR1ALDH1A1TSHRLMNA
SCHEMBL23268618 0.76 SIGMAR1 (0.49) NPC1SIGMAR1ALDH1A1LMNADRD4
SCHEMBL10095281 0.76 SIGMAR1 (0.49) NPC1SIGMAR1ALDH1A1LMNADRD4
SCHEMBL5776762 0.76 SIGMAR1 (0.49) NPC1SIGMAR1ALDH1A1HPGDLMNA
SCHEMBL102338 0.76 SIGMAR1 (0.71) NPC1SIGMAR1ALDH1A1TSHRHTT

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
EP-1483257-B1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2006-09-13 EP disclosed
US-6936619-B2 Cardiovascular disorders; antilipemic agents; sexual disorders PFIZER, INC. (US) 2005-08-30 US disclosed
US-20040029859-A1 Compounds useful in therapy PFIZER INC. 2004-02-12 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-20040029859-A1 Compounds useful in therapy ADRA1D, HSD3B1, PTGER1 NPC1 468/4885SIGMAR1 795/4885ALDH1A1 1113/4885

“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.