SCHEMBL4929477

SCHEMBL4929477

NC1CCC(CNCc2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.59
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RECQL P46063 1/20 0.49
HTR2C P28335 1/20 0.47
LTA4H P09960 1/20 0.47
MAN1B1 Q9UKM7 1/20 0.46
HTR2A P28223 1/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 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
SCHEMBL4929472 1.00 CXCR4 (0.59) CXCR4MEN1KMT2ATP53CYP3A4
SCHEMBL16083006 0.91 CXCR4 (0.69) CXCR4MEN1KMT2ATP53CYP3A4
SCHEMBL2934330 0.91 CXCR4 (0.69) CXCR4MEN1KMT2ATP53CYP3A4
SCHEMBL29760365 0.86 CXCR4 (0.59) CXCR4MEN1KMT2ATP53CYP3A4
SCHEMBL5519379 0.84 CXCR4 (0.61) CXCR4MEN1KMT2ATP53CYP3A4
SCHEMBL7330860 0.84 CXCR4 (0.61) CXCR4MEN1KMT2ATP53CYP3A4
SCHEMBL4288126 0.84 CXCR4 (0.61) CXCR4MEN1KMT2ATP53CYP3A4
SCHEMBL23023087 0.83 CXCR4 (0.65) CXCR4MEN1KMT2ATP53CYP3A4
SCHEMBL10349210 0.83 CXCR4 (0.65) CXCR4MEN1KMT2AHTR2CMAN1B1
SCHEMBL14934945 0.83 HTR2A (0.49) MEN1KMT2ACYP3A4CYP2D6CYP2C9

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-20080090863-A1 Pyridine Derivatives and Their Use as Medicaments for Treating Diseases Related to Mch Receptor TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 US disclosed
WO-2006035967-A1 PYRIDINE DERIVATIVES AND THEIR USE AS MEDICAMENTS FOR TREATING DISEASES RELATED TO MCH RECEPTOR TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO 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-20080090863-A1 Pyridine Derivatives and Their Use as Medicaments for Treating Diseases Related to Mch Receptor MCHR1, GPR119, MCHR2 CXCR4 384/4885MEN1 1056/4885KMT2A 818/4885

“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.