SCHEMBL4725704

SCHEMBL4725704

Cc1cc(NC[C@@]2(N)CCNC2)no1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 4/20 0.36
EGFR P00533 2/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
USP2 O75604 1/20 0.34
RPS6KA2 Q15349 1/20 0.34

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
SCHEMBL4921004 1.00 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3SMN1; SMN2MAPT
SCHEMBL4920998 1.00 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3SMN1; SMN2MAPT
SCHEMBL4780256 0.68 ROCK2 (0.42) ALDH1A1ADRA1A
SCHEMBL4780249 0.68 ROCK2 (0.42) ALDH1A1ADRA1A
SCHEMBL4783097 0.64 KDM4E (0.32) KMT2AKDM4E
SCHEMBL4783089 0.64 KDM4E (0.32) KMT2AKDM4E
SCHEMBL1799520 0.64
SCHEMBL22981604 0.64 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3TRPM8
SCHEMBL9180903 0.63 TSHR (0.30) TSHR
SCHEMBL3027858 0.63 ALDH1A1 (0.51) SMN1; SMN2MAPTALDH1A1EGFRGAA

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 SLC6A2 224/4885SLC6A4 645/4885SLC6A3 232/4885

“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.