SCHEMBL3511933

SCHEMBL3511933

CC(C1CCNCC1)N1CCN(c2cccc(-c3nc4ccccc4[nH]3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
KDM4E B2RXH2 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 2/20 0.46
TP53 P04637 1/20 0.46
NPBWR1 P48145 1/20 0.44
POLB P06746 1/20 0.44
BACE1 P56817 1/20 0.43
DRD2 P14416 3/20 0.42
DRD3 P35462 2/20 0.42
VCP P55072 3/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 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
Formic Acid SCHEMBL3508423 0.94 NPBWR1 (0.42) ACHEKDM4ESMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL3511276 0.81 HTR7 (0.57) ACHEKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL13033540 0.80 LMNA (0.61) ACHEKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL13033508 0.78 ACHE (0.58) ACHEKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL13033551 0.77 NPC1 (0.54) ACHEKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL13033512 0.76 ACHE (0.76) ACHEKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL13033503 0.76 KDM4E (0.50) ACHEKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL13033513 0.76 ACHE (0.56) ACHEKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL7637232 0.76 SMN1; SMN2 (0.58) ACHEKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL13033499 0.75 KDM4E (0.55) ACHEKDM4ESMN1; SMN2NPC1RAB9A

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-8592463-B2 Hedgehog pathway antagonists and therapeutic applications thereof SIENA BIOTECH S.P.A. (IT) 2013-11-26 US disclosed
US-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2010-11-11 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-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SHH, GLI1, SMO ACHE 4747/4885KDM4E 3170/4885SMN1; SMN2 2687/4885

“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.