SCHEMBL13699593

SCHEMBL13699593

CC(C)(C)C(=O)N1CCN(c2ccc(Cl)cc2F)[C@H](c2ccc(CN[C@H]3CCNC3)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 4/20 0.42
TACR2 P21452 1/20 0.34
TACR1 P25103 1/20 0.34
MC2R Q01718 1/20 0.34
SSTR4 P31391 1/20 0.34
CCR2 P41597 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP3A5 P20815 1/20 0.34
MC4R P32245 1/20 0.34
PDK2 Q15119 2/20 0.33
CNR1 P21554 1/20 0.33
KDM1A O60341 1/20 0.33
MAOB P27338 1/20 0.33
KDM1B Q8NB78 1/20 0.33
OPRL1 P41146 1/20 0.33
MLNR O43193 1/20 0.33

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
SCHEMBL13699598 1.00 MDM2 (0.42) MDM2TACR2TACR1MC2RSSTR4
SCHEMBL13699594 0.95 MDM2 (0.41) MDM2CCR2LMNAMAPK1CYP3A4
SCHEMBL13699592 0.95 MDM2 (0.43) MDM2TACR2TACR1CCR2LMNA
SCHEMBL13699553 0.84 MDM2 (0.42) MDM2LMNAMAPK1CYP3A4CYP3A5
SCHEMBL13699596 0.82 MDM2 (0.44) MDM2LMNAMAPK1CYP3A4CYP3A5
SCHEMBL13699595 0.82 MDM2 (0.41) MDM2LMNAMAPK1CYP3A4CYP3A5
SCHEMBL13699590 0.82 MDM2 (0.41) MDM2LMNAMAPK1CYP3A4CYP3A5
SCHEMBL13699597 0.81 MDM2 (0.42) MDM2LMNAMAPK1CYP3A4CYP3A5
SCHEMBL4163929 0.81 MDM2 (0.42) MDM2LMNAMAPK1CYP3A4CYP3A5
SCHEMBL13699615 0.80 MDM2 (0.39) MDM2LMNAMAPK1CYP3A4CYP3A5

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-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

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 2997/4885TACR2 63/4885TACR1 31/4885

“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.