SCHEMBL5058757

SCHEMBL5058757

Cc1ccc(N2CCN(C(=O)c3ccc4c(c3)N=C(c3ccccc3)c3ccccc3S4)CC2)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.56
POLB P06746 2/20 0.56
NPC1 O15118 2/20 0.54
KMT2A Q03164 7/20 0.53
MEN1 O00255 6/20 0.53
LMNA P02545 4/20 0.48
TP53 P04637 2/20 0.48
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 2/20 0.46
CNR1 P21554 1/20 0.46
TSHR P16473 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL13807838 0.93 CNR1 (0.56) HTTPOLBNPC1KMT2AMEN1
SCHEMBL13807836 0.88 NPC1 (0.56) HTTPOLBNPC1KMT2AMEN1
SCHEMBL5054147 0.84 KMT2A (0.54) HTTPOLBNPC1KMT2AMEN1
SCHEMBL5058752 0.83 CNR1 (0.59) HTTPOLBNPC1KMT2AMEN1
SCHEMBL5054318 0.83 MEN1 (0.62) HTTPOLBNPC1KMT2AMEN1
SCHEMBL5057347 0.82 MEN1 (0.61) HTTPOLBNPC1KMT2AMEN1
SCHEMBL5058781 0.82 MEN1 (0.61) NPC1KMT2AMEN1LMNATP53
SCHEMBL14206085 0.78 MEN1 (0.69) POLBNPC1KMT2AMEN1TP53
SCHEMBL5057201 0.75 MEN1 (0.57) POLBNPC1KMT2AMEN1LMNA
SCHEMBL5057283 0.75 CNR1 (0.63) NPC1KMT2AMEN1TP53MAPT

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
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-04-17 US disclosed
US-20070106074-A1 Iron catalyzed cross-coupling reactions of imidoyl derivatives ACADIA PHARMACEUTICALS 2007-05-10 US disclosed
US-20070105819-A1 CB-1 modulating compounds and their use ACADIA PHARMACEUTICALS, INC. 2007-05-10 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 (3 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-20070106074-A1 Iron catalyzed cross-coupling reactions of imidoyl derivatives SDHB, TFRC, SLC40A1 HTT 4059/4885POLB 1159/4885NPC1 1027/4885
US-20070105819-A1 CB-1 modulating compounds and their use CNR1, CNR2, FAAH HTT 3941/4885POLB 4785/4885NPC1 225/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH HTT 3941/4885POLB 4785/4885NPC1 225/4885

“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.