SCHEMBL4776903

SCHEMBL4776903

N[C@]1(CNC(=O)c2ccc(Cl)cc2)CCNC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.50
AKT2 P31751 1/20 0.49
AKT1 P31749 4/20 0.47
CYP1A2 P05177 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
MAOB P27338 1/20 0.47
MEN1 O00255 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
THRB P10828 1/20 0.44

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
SCHEMBL4776908 1.00 CHRNA7 (0.50) CHRNA7AKT2AKT1CYP1A2TSHR
SCHEMBL13540042 0.92 AKT2 (0.54) CHRNA7AKT2AKT1CYP1A2TSHR
Hydrochloric Acid SCHEMBL1002575 0.90 AKT2 (0.53) CHRNA7AKT2AKT1CYP1A2TSHR
SCHEMBL4726390 0.79 P2RX7 (0.51) CYP1A2
SCHEMBL4726388 0.79 P2RX7 (0.51) CYP1A2
SCHEMBL17730013 0.79 SMYD3 (0.60) CHRNA7CYP1A2TSHRNFKB1MAOB
SCHEMBL17730112 0.78 SMYD3 (0.59) CHRNA7CYP1A2TSHRNFKB1MAOB
SCHEMBL4783089 0.73 KDM4E (0.32) KMT2AKDM4E
SCHEMBL4783097 0.73 KDM4E (0.32) KMT2AKDM4E
SCHEMBL4776362 0.72 RPS6KB1 (0.51) AKT2AKT1

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-20080051419-A1 AMINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. 2008-02-28 US disclosed
WO-2008012635-A2 AMINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2008-01-31 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-20080051419-A1 AMINE DERIVATIVES USEFUL AS ANTICANCER AGENTS CCNY, CCND2, CCND1 CHRNA7 4601/4885AKT2 1098/4885AKT1 752/4885

“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.