SCHEMBL5705142

SCHEMBL5705142

CC(C)(C)OC(=O)N1CCC(c2cn(Cc3ccc(C(C)(C)C)cc3)c3cc(NC(=O)c4ccccc4)ccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SCN9A Q15858 1/20 0.46
RORC P51449 1/20 0.46
EPHX2 P34913 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
CCR8 P51685 1/20 0.44
TGFBR1 P36897 1/20 0.43
MAPT P10636 3/20 0.42
NAMPT P43490 1/20 0.42
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC2 Q92769 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
SCHEMBL5705173 0.84 SCN9A (0.46) ALDH1A1LMNACYP3A4CYP2D6CYP2C9
SCHEMBL6133175 0.83 SCN9A (0.46) ALDH1A1LMNACYP3A4CYP2D6CYP2C9
SCHEMBL6133259 0.83 YAP1 (0.48) ALDH1A1LMNACYP3A4CYP2D6CYP2C9
SCHEMBL6135457 0.82 JAK2 (0.42) ALDH1A1LMNACYP3A4CYP2D6CYP2C9
SCHEMBL5705137 0.81 GPR119 (0.47) ALDH1A1LMNACYP3A4CYP2D6CYP2C9
SCHEMBL6133467 0.74 GPR119 (0.54) SCN9AHDAC1HDAC6HDAC3HDAC2
SCHEMBL5705160 0.73 SLC2A1 (0.52) ALDH1A1LMNASCN9AMAPTHDAC1
SCHEMBL2305483 0.71 NAMPT (0.56) KDM4EPKMTGFBR1MAPTNAMPT
SCHEMBL27322905 0.69 SCN9A (0.50) SCN9AKDM4EPKMMAPTNAMPT
SCHEMBL21391326 0.68 KIT (0.57) KDM4EPKMCCR8MAPTGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1691807-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF BONE DISEASES Astellas Pharma Inc. (JP) 2006-08-23 EP disclosed
US-20050245540-A1 New methods FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
WO-2005056012-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF BONE DISEASES ASTELLAS PHARMA INC. (JP) 2005-06-23 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-20050245540-A1 New methods TGFB1, TGFBR1, TGFB2 ALDH1A1 885/4885LMNA 874/4885CYP3A4 2814/4885

“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.