SCHEMBL13699612

SCHEMBL13699612

CC(C)(C)C(=O)N1CCN(c2ccc(Cl)cc2Cl)[C@H](c2ccc(CN3CCCNCC3)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 2/20 0.42
CXCR4 P61073 9/20 0.40
MEN1 O00255 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
ADRA2C P18825 1/20 0.39
CCR2 P41597 1/20 0.39
CXCL12 P48061 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CNR1 P21554 1/20 0.37
F10 P00742 1/20 0.37
MC4R P32245 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
AVPR1A P37288 1/20 0.35
ENPP2 Q13822 1/20 0.35
SIGMAR1 Q99720 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
SCHEMBL13699589 0.92 MDM2 (0.41) MDM2CXCR4MEN1CHRM2CHRM1
SCHEMBL13699596 0.89 MDM2 (0.44) MDM2F10MC4RLMNAMAPK1
SCHEMBL13699605 0.88 CXCR4 (0.42) MDM2CXCR4MEN1CHRM2CHRM1
SCHEMBL13699546 0.83 MDM2 (0.43) MDM2LMNAMAPK1NPY2R
SCHEMBL13699614 0.83 MDM2 (0.43) MDM2MEN1KMT2ACNR1LMNA
SCHEMBL13699617 0.82 MDM2 (0.40) MDM2MEN1KMT2ACNR1MC4R
SCHEMBL13699618 0.82 MDM2 (0.40) MDM2MEN1KMT2ACNR1MC4R
SCHEMBL4168260 0.80 MDM2 (0.48) MDM2MEN1KMT2ACNR1LMNA
SCHEMBL4168266 0.80 MDM2 (0.48) MDM2MEN1KMT2ACNR1LMNA
SCHEMBL13699581 0.80 MLNR (0.47) MDM2

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-20090221582-A1 Piperazine Derivatives And Their Use In Therapy VERNALIS (R&D) (GB) 2009-09-03 US disclosed
US-20090221582-A1 Piperazine Derivatives And Their Use In Therapy VERNALIS (R&D) (GB) 2009-09-03 US disclosed
WO-2007057687-A1 PIPERAZINE DERIVATIVES AND THEIR USE IN THERAPY VERNALIS (R & D) LIMITED (GB) 2007-05-24 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-20090221582-A1 Piperazine Derivatives And Their Use In Therapy CNR2, CNR1, ALK MDM2 2997/4885CXCR4 771/4885MEN1 1455/4885

“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.