SCHEMBL9926514

SCHEMBL9926514

Cc1cc(Cl)ccc1CC(=O)NCCN1CCN(C)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.54
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KMT2A Q03164 1/20 0.52
TP53 P04637 3/20 0.48
MAPT P10636 3/20 0.48
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
P2RX7 Q99572 5/20 0.47
POLB P06746 2/20 0.47
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL9926516 0.88 POLB (0.60) CNR1SMN1; SMN2KMT2APOLBLMNA
SCHEMBL9926585 0.76 P2RX7 (0.50) SMN1; SMN2KMT2AP2RX7POLBLMNA
SCHEMBL9926517 0.74 ALDH1A1 (0.66) SMN1; SMN2POLBLMNA
SCHEMBL20772369 0.74 CNR1 (0.47) CNR1GAASMN1; SMN2KMT2ATP53
SCHEMBL9926646 0.73 P2RX7 (0.48) KMT2ATP53MAPTP2RX7HDAC2
SCHEMBL9926532 0.73 HTT (0.54) SMN1; SMN2KMT2ATP53P2RX7POLB
Hydrochloric Acid SCHEMBL22320782 0.73 SMN1; SMN2 (0.47) CNR1GAASMN1; SMN2KMT2ATP53
Hydrochloric Acid SCHEMBL30553806 0.73 SMN1; SMN2 (0.47) CNR1GAASMN1; SMN2KMT2ATP53
SCHEMBL26099449 0.72 CDK1 (0.58) CNR1KMT2AHDAC2HDAC8HDAC6
SCHEMBL9926586 0.72 HPGD (0.50) SMN1; SMN2KMT2ATP53MAPTP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS NOVARTIS AG (CH) 2012-06-14 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-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS MDM4, MDM2, TP53 CNR1 2104/4885GAA 2555/4885SMN1; SMN2 886/4885

“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.