SCHEMBL4137047

SCHEMBL4137047

OCCN1CCN(Cc2cc[c]cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
ALDH1A1 P00352 3/20 0.53
GAA P10253 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
RAB9A P51151 1/20 0.49
LMNA P02545 3/20 0.47
HPGD P15428 2/20 0.47
POLB P06746 1/20 0.47
THRB P10828 1/20 0.47
TSHR P16473 1/20 0.47
SIGMAR1 Q99720 1/20 0.45
MC4R P32245 1/20 0.43
MBTD1 Q05BQ5 1/20 0.43
L3MBTL3 Q96JM7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSD17B10 Q99714 1/20 0.42
CCR3 P51677 1/20 0.42

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
SCHEMBL742562 0.81 MC4R (0.66) ALDH1A1NPC1TP53RAB9ALMNA
SCHEMBL11347486 0.81 SIGMAR1 (0.72) PKMALDH1A1KMT2ALMNAPOLB
SCHEMBL3037947 0.81 SIGMAR1 (0.72) PKMALDH1A1KMT2ALMNAPOLB
SCHEMBL3979002 0.79 SIGMAR1 (0.63) PKMALDH1A1GAAMEN1KMT2A
SCHEMBL27879360 0.78 PKM (0.47) PKMALDH1A1GAAMEN1KMT2A
SCHEMBL738784 0.78 HRH3 (0.67) ALDH1A1POLBMBTD1L3MBTL3L3MBTL1
SCHEMBL7356340 0.78 HRH3 (0.60) ALDH1A1MEN1KMT2APOLBSIGMAR1
SCHEMBL188554 0.78 KCNH2 (0.46) ALDH1A1MEN1KMT2ASIGMAR1DRD2
SCHEMBL16122104 0.78 ALDH1A1 (0.65) PKMALDH1A1GAAMEN1KMT2A
SCHEMBL21550461 0.78 DUSP3 (0.60) PKMALDH1A1GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases BETSCHART CLAUDIA 2009-02-26 US disclosed
US-7452886-B2 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2008-11-18 US disclosed
EP-1423391-B8 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2007-12-12 EP disclosed
EP-1423391-B1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2006-05-17 EP disclosed
US-20050054851-A1 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2005-03-10 US disclosed
EP-1423391-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES Novartis AG (CH) 2004-06-02 EP disclosed
WO-2003020721-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2003-03-13 WO 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-20050054851-A1 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases CTSK, CTSS, CTSZ PKM 988/4885ALDH1A1 2931/4885GAA 344/4885
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases CTSK, CTSS, CTSZ PKM 988/4885ALDH1A1 2931/4885GAA 344/4885

“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.