SCHEMBL1638170

SCHEMBL1638170

CCCN(CCC)CCCCc1nc2ccc(CO)cc2n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MCHR1 Q99705 1/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
PTGS1 P23219 1/20 0.36
HDAC10 Q969S8 1/20 0.36
AGTR1 P30556 2/20 0.35
AGTR2 P50052 2/20 0.35
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL1206862 0.88 AGTR1 (0.41) MAPTHDAC1HDAC6HDAC3HDAC4
SCHEMBL1637212 0.88 MAPT (0.45) MAPTNPC1GAARAB9ASMN1; SMN2
SCHEMBL1638581 0.80 MAPK1 (0.45) MAPTGAASMN1; SMN2TSHRDRD3
SCHEMBL1637181 0.79 KDM4E (0.42) NPC1RAB9ASMN1; SMN2TLR7KDM4E
SCHEMBL1206017 0.77 AGTR1 (0.39) MAPTHDAC1AGTR1AGTR2TLR7
SCHEMBL1638458 0.74 CXCR4 (0.67) MCHR1
SCHEMBL1206734 0.74 BCHE (0.52) TSHRCYP3A4CYP2D6DRD2NFKB1
SCHEMBL1638239 0.74 AGTR1 (0.34) MAPTAGTR1AGTR2TLR7
SCHEMBL1638459 0.73 CXCR4 (0.42) MCHR1
SCHEMBL1638607 0.73 AGTR1 (0.39) MAPTHDAC1HDAC6HDAC3HDAC4

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-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF KUREHA CORPORATION (JP) 2011-07-14 US disclosed
US-7932281-B2 Amine-based compound and use thereof KUREHA CORPORATION (JP) 2011-04-26 US disclosed
US-20070208007-A1 Amine-Based Compound and Use Thereof KUREHA CORPORATION (JP) 2007-09-06 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 (2 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-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF NR0B2, NR5A2, NR1D2 MAPT 3333/4885NPC1 1975/4885GAA 4793/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 MAPT 3184/4885NPC1 1290/4885GAA 4823/4885

“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.