SCHEMBL5778759

SCHEMBL5778759

OCc1ncc2n1CCN(Cc1ccccc1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.46
COMT P21964 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MC4R P32245 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
DRD4 P21917 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
PHGDH O43175 1/20 0.39
MGLL Q99685 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL5773487 0.86 SIGMAR1 (0.46) SIGMAR1COMTALDH1A1MC4RNPC1
SCHEMBL1709877 0.86 SIGMAR1 (0.46) SIGMAR1COMTALDH1A1MC4RNPC1
SCHEMBL1999832 0.83 SIGMAR1 (0.42) SIGMAR1COMTALDH1A1MC4RNPC1
SCHEMBL1290485 0.82 HTR1A (0.43) COMTALDH1A1PRKAB2PRKAG1PRKAA2
SCHEMBL5773600 0.82 NPC1 (0.46) SIGMAR1ALDH1A1NPC1RAB9ADRD4
SCHEMBL5775595 0.81 SIGMAR1 (0.50) SIGMAR1COMTALDH1A1MC4RNPC1
SCHEMBL23268618 0.80 SIGMAR1 (0.49) SIGMAR1COMTALDH1A1MC4RNPC1
SCHEMBL10095281 0.80 SIGMAR1 (0.49) SIGMAR1COMTALDH1A1MC4RNPC1
SCHEMBL5776762 0.80 SIGMAR1 (0.49) SIGMAR1COMTALDH1A1MC4RNPC1
SCHEMBL5776436 0.77 SIGMAR1 (0.42) SIGMAR1COMTALDH1A1MC4RNPC1

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 SIGMAR1 795/4885COMT 2393/4885ALDH1A1 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.