SCHEMBL4047147

SCHEMBL4047147

CC(C)N1[C@H](c2ccccc2)[C@H]1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HRH3 Q9Y5N1 3/20 0.39
KCNH2 Q12809 1/20 0.39
KDM1A O60341 1/20 0.39
NPSR1 Q6W5P4 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
CYP2D6 P10635 1/20 0.36
CHRNA7 P36544 1/20 0.36
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ELANE P08246 1/20 0.34
KIF11 P52732 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
SCHEMBL4047153 1.00 ATM (0.39) ATMALDH1A1HRH3KCNH2KDM1A
SCHEMBL999798 1.00 ATM (0.39) ATMALDH1A1HRH3KCNH2KDM1A
SCHEMBL4055784 1.00 ATM (0.39) ATMALDH1A1HRH3KCNH2KDM1A
SCHEMBL16521122 0.79 ALDH1A1 (0.35) ATMALDH1A1HRH3KCNH2KDM1A
SCHEMBL28513108 0.76 SMN1; SMN2 (0.44) ALDH1A1KDM1ASMN1; SMN2KMT2AMAPT
SCHEMBL8660338 0.72 ATM (0.48) ATMALDH1A1NPSR1SMN1; SMN2MEN1
SCHEMBL30561555 0.72 ATM (0.48) ATMALDH1A1NPSR1SMN1; SMN2MEN1
SCHEMBL8517882 0.72 ATM (0.48) ATMALDH1A1NPSR1SMN1; SMN2MEN1
SCHEMBL20109304 0.72 ATM (0.34) ATMALDH1A1HRH3KCNH2KDM1A
SCHEMBL16001322 0.70 ATM (0.47) ATMALDH1A1NPSR1SMN1; SMN2MEN1

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
EP-1461315-B1 CATALYTIC CARBONYLATION OF THREE AND FOUR MEMBERED HETEROCYCLES CORNELL RES FOUNDATION INC (US) 2009-07-29 EP disclosed
US-6852865-B2 Catalytic carbonylation of three and four membered heterocycles CORNELL RESEARCH FOUNDATION, INC. (US) 2005-02-08 US disclosed
US-20030162961-A1 Catalytic carbonylation of three and four membered heterocycles CORNELL RESEARCH FOUNDATION, INC. 2003-08-28 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-20030162961-A1 Catalytic carbonylation of three and four membered heterocycles LOX, CA9, LPO ATM 3279/4885ALDH1A1 1604/4885HRH3 1383/4885

“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.