SCHEMBL4785656

SCHEMBL4785656

CN1CCCN(c2n[nH]c3ccc([N+](=O)[O-])cc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
APP P05067 1/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
SIRT6 Q8N6T7 1/20 0.46
HRH4 Q9H3N8 4/20 0.43
HRH3 Q9Y5N1 1/20 0.43
HTR7 P34969 1/20 0.43
CYP3A4 P08684 2/20 0.42
CDC7 O00311 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EIF2AK2 P19525 1/20 0.42
WDR5 P61964 1/20 0.42
SLC6A4 P31645 1/20 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
SCHEMBL4781802 0.95 MAPT (0.50) LMNAAPPBCHEACHEMAPT
SCHEMBL30833799 0.85 SIRT6 (0.50) LMNAAPPBCHEACHEMAPT
SCHEMBL4784574 0.85 SIRT6 (0.50) LMNAAPPBCHEACHEMAPT
SCHEMBL4783385 0.81 ALDH1A1 (0.54) LMNAMAPTHPGDALDH1A1CYP1A2
SCHEMBL2466571 0.81 MAPK1 (0.52) ACHEMAPTHPGDCDC7ALDH1A1
SCHEMBL4799096 0.81 ALDH1A1 (0.46) LMNAMAPTHPGDCYP3A4ALDH1A1
SCHEMBL4782452 0.79 JAK2 (0.50) MAPTHRH4CDC7JAK2CNR2
SCHEMBL30833752 0.76 MEN1 (0.41) LMNAAPPBCHEACHESIRT6
SCHEMBL29190644 0.76 MEN1 (0.41) LMNAAPPBCHEACHESIRT6
SCHEMBL22860166 0.74 HRH4 (0.51) LMNAACHEMAPTHPGDHRH4

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-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-26 US disclosed
US-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-26 US disclosed
WO-2008061109-A2 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO disclosed
WO-2008061109-A2 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 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 (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-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS MCHR1, MCHR2, MC1R LMNA 4549/4885APP 4606/4885BCHE 3055/4885

“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.