SCHEMBL4785105

SCHEMBL4785105

CN1CCN(c2nn(C)c3ccc(C(=O)O)cc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.45
KDM4E B2RXH2 2/20 0.43
HCAR3 P49019 1/20 0.43
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
RARG P13631 1/20 0.39
RORC P51449 1/20 0.39
HDAC3 O15379 1/20 0.39
MTOR P42345 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HPGD P15428 1/20 0.39
CYP3A4 P08684 1/20 0.39
HIF1A Q16665 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
SCHEMBL4785947 0.89 CHEK1 (0.45) CHEK1KDM4EHCAR3ALDH1A1HSD17B10
SCHEMBL4782350 0.88 CHEK1 (0.44) CHEK1KDM4EHCAR3ALDH1A1HSD17B10
SCHEMBL18561356 0.86 KDM4E (0.43) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL15345084 0.79 HRH4 (0.52) KDM4EALDH1A1HSD17B10HTR3EHTR3B
SCHEMBL15333355 0.77 HTT (0.56) ALDH1A1CYP3A4HRH4HTR6
SCHEMBL14208223 0.77 ALDH1A1 (0.49) ALDH1A1HTR3EHTR3BHTR3AHTR3D
Lithium Ion SCHEMBL4782345 0.76 CYP3A4 (0.40) CHEK1KDM4EALDH1A1HSD17B10HDAC3
SCHEMBL18573637 0.76 KDM4E (0.38) KDM4EHCAR3ALDH1A1HSD17B10HPGD
SCHEMBL4785283 0.75 KDM4E (0.43) KDM4EALDH1A1HDAC3MTORHDAC1
SCHEMBL23535727 0.75 HCAR3 (0.55) KDM4EHCAR3ALDH1A1HSD17B10HPGD

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 6 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

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 CHEK1 4017/4885KDM4E 3887/4885HCAR3 57/4885

“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.