SCHEMBL4784112

SCHEMBL4784112

CN1CCN(c2n[nH]c3cc(C(=O)NCc4ccc(OC(F)(F)F)cc4)ccc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
HPGD P15428 5/20 0.54
CYP2C9 P11712 3/20 0.54
CYP2C19 P33261 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2D6 P10635 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KDM4E B2RXH2 4/20 0.52
GAA P10253 1/20 0.52
MAPK10 P53779 2/20 0.51
MAPK8 P45983 1/20 0.51
CYP3A4 P08684 1/20 0.51
EPHX2 P34913 3/20 0.49
NR1H4 Q96RI1 1/20 0.49
NAMPT P43490 1/20 0.47
KMT2A Q03164 1/20 0.46
HTR2C P28335 1/20 0.46
ALK Q9UM73 1/20 0.46
KIT P10721 3/20 0.46
PPARG P37231 2/20 0.44

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
SCHEMBL4783741 0.89 KIT (0.52) ALDH1A1HPGDCYP2C9CYP2C19SMN1; SMN2
SCHEMBL4783423 0.88 KIT (0.51) MAPK10MAPK8EPHX2NAMPTKMT2A
SCHEMBL4784235 0.85 KMT2A (0.51) CYP2C19CYP1A2SMN1; SMN2MAPK10MAPK8
SCHEMBL4781301 0.85 AURKA (0.54) ALDH1A1SMN1; SMN2KDM4EGAAMAPK10
SCHEMBL4785545 0.83 ALDH1A1 (0.59) ALDH1A1HPGDCYP2C9CYP2C19CYP1A2
SCHEMBL4783322 0.78 KMT2A (0.51) SMN1; SMN2MAPK10MAPK8KMT2AALK
SCHEMBL4785037 0.77 RAB9A (0.54) ALDH1A1HPGDCYP2C19CYP1A2SMN1; SMN2
SCHEMBL4783556 0.77 MAPK1 (0.46) ALDH1A1KDM4EGAAKITFLT3
SCHEMBL4782765 0.76 ALDH1A1 (0.51) ALDH1A1HPGDCYP2C9CYP2C19CYP1A2
SCHEMBL4783835 0.76 DDR1 (0.53) MAPK8EPHX2MAPK1ROCK2

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-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-26 US claimed
WO-2008061109-A2 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO claimed
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
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 ALDH1A1 2090/4885HPGD 730/4885CYP2C9 2230/4885

“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.