SCHEMBL4488829

SCHEMBL4488829

N#Cc1nn(Cc2ccccc2)c2c1CC1CC21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.46
CNR1 P21554 6/20 0.46
TSHR P16473 2/20 0.39
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
ACHE P22303 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AADAT Q8N5Z0 1/20 0.33

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
SCHEMBL13631512 1.00 CNR2 (0.46) CNR2CNR1TSHRALDH1A1HPGD
SCHEMBL4491330 0.79 TSHR (0.40) TSHRALDH1A1HPGDTDP1ACHE
SCHEMBL13631658 0.79 TSHR (0.40) TSHRALDH1A1HPGDTDP1ACHE
SCHEMBL5531383 0.76 TSHR (0.39) TSHRALDH1A1HPGDTDP1ACHE
SCHEMBL4484593 0.76 CNR2 (0.58) CNR2CNR1ALDH1A1HPGDSMN1; SMN2
SCHEMBL4483074 0.76 TSHR (0.39) TSHRALDH1A1HPGDTDP1HSD17B10
SCHEMBL13631659 0.76 TSHR (0.39) TSHRALDH1A1HPGDTDP1HSD17B10
SCHEMBL14570520 0.75 TSHR (0.39) TSHRALDH1A1HPGDTDP1HTR2C
SCHEMBL5522025 0.74 TSHR (0.39) TSHRALDH1A1HPGDTDP1ACHE
SCHEMBL14570519 0.74 TSHR (0.42) TSHRALDH1A1HPGDTDP1HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612106-B2 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2009-11-03 US disclosed
US-20090258892-A1 FUSED PYRAZOLE DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2009-10-15 US disclosed
US-7241792-B2 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2007-07-10 US disclosed
US-20070073062-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. 2007-03-29 US disclosed
US-20060205955-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2006-09-14 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 (3 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-20090258892-A1 FUSED PYRAZOLE DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ACE, ACE2, AGTR2 CNR2 1103/4885CNR1 1425/4885TSHR 3158/4885
US-20070073062-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ACE, ACE2, AGTR2 CNR2 1103/4885CNR1 1425/4885TSHR 3158/4885
US-20060205955-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ACE, ACE2, AGTR2 CNR2 1103/4885CNR1 1425/4885TSHR 3158/4885

“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.