SCHEMBL1637599

SCHEMBL1637599

CCCN(CCC)CCCCN(Cc1ccc(CNCc2ncc[nH]2)cc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.53
TSHR P16473 3/20 0.52
CYP2D6 P10635 1/20 0.52
LMNA P02545 1/20 0.51
GLA P06280 1/20 0.51
BLM P54132 1/20 0.51
PMP22 Q01453 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TAAR1 Q96RJ0 5/20 0.49
BCHE P06276 1/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34

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
SCHEMBL1638175 0.85 CXCR4 (0.59) CXCR4TAAR1
SCHEMBL1637139 0.84 CXCR4 (0.60) CXCR4TSHRCYP2D6LMNAGLA
SCHEMBL4953981 0.81 CXCR4 (0.60) CXCR4TAAR1
SCHEMBL1205320 0.81 CXCR4 (0.54) CXCR4TSHRCYP2D6TAAR1BCHE
SCHEMBL1638022 0.79 TSHR (0.50) CXCR4TSHRCYP2D6LMNAGLA
SCHEMBL1638636 0.79 CXCR4 (0.58) CXCR4TSHR
SCHEMBL1205067 0.78 CXCR4 (0.51) CXCR4TSHRCYP2D6LMNAGLA
SCHEMBL1638020 0.78 CXCR4 (0.75) CXCR4TSHRCYP2D6LMNAGLA
SCHEMBL1638036 0.78 CXCR4 (0.52) CXCR4TSHRCYP2D6LMNAGLA
SCHEMBL1206663 0.78 CXCR4 (0.53) CXCR4TAAR1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1724263-B1 BASIC AMINE COMPOUND AND USE THEREOF KUREHA CORP (JP) 2014-03-05 EP disclosed
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 CXCR4 86/4885TSHR 1111/4885CYP2D6 31/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 CXCR4 100/4885TSHR 1353/4885CYP2D6 47/4885

“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.