SCHEMBL915767

SCHEMBL915767

CC(C)COc1cccc2[nH]c(C(=O)NC3CCN(Cc4ccccc4)CC3)cc12

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.53
SLC6A12 P48065 2/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 1/20 0.51
SIGMAR1 Q99720 1/20 0.50
ACHE P22303 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
MCHR1 Q99705 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
DRD4 P21917 2/20 0.48
SLC6A13 Q9NSD5 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL914823 0.88 PARP1 (0.43) KMT2AMEN1KDM4EALDH1A1RAB9A
SCHEMBL914848 0.88 SLC2A1 (0.45) KMT2AKDM4EALDH1A1
SCHEMBL914669 0.88 SLC2A1 (0.45) KMT2AKDM4EALDH1A1
SCHEMBL914473 0.87 KMT2A (0.44) KMT2AKDM4EALDH1A1
SCHEMBL914311 0.87 PARP1 (0.43) KMT2AMEN1KDM4EALDH1A1
SCHEMBL914256 0.87 KMT2A (0.44) KMT2AKDM4EALDH1A1
SCHEMBL914372 0.87 PARP1 (0.43) KMT2AMEN1KDM4EALDH1A1
SCHEMBL12971898 0.85 RHEB (0.56) RHEBSLC6A12KMT2ASIGMAR1TMEM97
SCHEMBL913976 0.84 KMT2A (0.44) KMT2AKDM4EALDH1A1
SCHEMBL914072 0.83 SMYD3 (0.47) KMT2AMEN1KDM4EALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 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 (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-20110015180-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 RHEB 3019/4885SLC6A12 1226/4885KMT2A 4109/4885

“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.