SCHEMBL1638650

SCHEMBL1638650

CCCN(CCC)CCCc1nc2ccc(C#N)cc2n1CCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 1/20 0.42
CYP11B2 P19099 4/20 0.40
CYP11B1 P15538 3/20 0.40
TLR7 Q9NYK1 2/20 0.39
TLR8 Q9NR97 1/20 0.38
BRD4 O60885 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC9 Q9UKV0 2/20 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
SCHEMBL1636416 0.95 ACSS2 (0.40) ACSS2CYP11B2CYP11B1TLR7TLR8
SCHEMBL1636604 0.89 ACSS2 (0.41) ACSS2CYP11B2CYP11B1TLR7TLR8
SCHEMBL1206745 0.87 HDAC1 (0.41) TLR7TLR8BRD4HDAC3HDAC4
SCHEMBL1638406 0.86 ACSS2 (0.43) ACSS2CYP11B2CYP11B1TLR7TLR8
SCHEMBL1638450 0.84 MAPT (0.47) ACSS2CYP11B2CYP11B1TLR7TLR8
SCHEMBL1638607 0.81 AGTR1 (0.39) TLR7TLR8LMNAMAPTHDAC3
SCHEMBL7019632 0.80 CYP11B2 (0.47) ACSS2CYP11B2CYP11B1BRD4LMNA
SCHEMBL1637130 0.80 HRH3 (0.42) ACSS2
SCHEMBL15509992 0.80 TLR8 (0.46) TLR7TLR8LMNAMAPTSMN1; SMN2
SCHEMBL1638689 0.80 TLR7 (0.38) ACSS2CYP11B2CYP11B1TLR7TLR8

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 4 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
EP-1724263-A1 BASIC AMINE COMPOUND AND USE THEREOF Kureha Corporation (JP) 2006-11-22 EP 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 ACSS2 660/4885CYP11B2 32/4885CYP11B1 76/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 ACSS2 432/4885CYP11B2 34/4885CYP11B1 60/4885

“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.