SCHEMBL7076381

SCHEMBL7076381

CC(C)n1c(C(=O)NN2CCC(Cc3ccccc3)CC2)cc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.48
KCNH2 Q12809 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
POLB P06746 1/20 0.46
HTR4 Q13639 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ACHE P22303 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL5377669 0.77 HDAC6 (0.49) KCNH2HRH3POLBHDAC6ACHE
SCHEMBL7449374 0.74 CCR3 (0.60) MEN1KMT2ASLC6A2SLC6A4
SCHEMBL5733936 0.71 HDAC6 (0.52) KCNH2HRH3POLBHDAC6
SCHEMBL7078849 0.71 GAA (0.49) SIGMAR1ACHE
SCHEMBL24076759 0.71 SLC6A2 (0.61) SLC6A2SLC6A4
SCHEMBL30301400 0.71 SLC6A2 (0.61) SLC6A2SLC6A4
SCHEMBL9591405 0.70 MEN1 (0.56) POLBMEN1KMT2A
SCHEMBL5823619 0.70 MCL1 (0.62) POLBHTR4ALDH1A1
SCHEMBL5377677 0.69 GAA (0.50) SIGMAR1KCNH2HRH3HDAC6ACHE
SCHEMBL5732389 0.69 GAA (0.50) SIGMAR1KCNH2HRH3HDAC6ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030073699-A1 Compounds and methods to treat cardiac failure and other disorders SCIOS, INC. 2003-04-17 US disclosed
US-6130235-A PIPERIDINE MOIETIES COUPLED TO INDOLE, BENZIMIDAZOLE OR BENZOTRIAZOLE. SCIOS INC. (US) 2000-10-10 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-20030073699-A1 Compounds and methods to treat cardiac failure and other disorders RCOR1, NR3C2, CNR1 SIGMAR1 61/4885KCNH2 1160/4885HRH3 555/4885

“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.