SCHEMBL3773545

SCHEMBL3773545

CC(C)(C)N(CC1(CNc2cncc(Br)c2)CC1)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
HTT P42858 2/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
CACNA1I Q9P0X4 1/20 0.32
CXCR3 P49682 1/20 0.32
HDAC4 P56524 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL3778334 0.82 SYK (0.31)
SCHEMBL3765795 0.81 ALDH1A1 (0.31) ALDH1A1
SCHEMBL3772246 0.79 NPC1 (0.33) SMN1; SMN2NPC1RAB9AHTTMAPT
SCHEMBL3805236 0.78 CHRNB2 (0.35) SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4
SCHEMBL3145935 0.78 POLB (0.37) SMN1; SMN2NPC1RAB9AHTTCYP1A2
SCHEMBL3765631 0.76 SMN1; SMN2 (0.34) SMN1; SMN2NPC1RAB9AHTTMAPT
SCHEMBL3145942 0.76 HTT (0.38) SMN1; SMN2NPC1RAB9AHTTMAPT
SCHEMBL3771958 0.73 MAP4K4 (0.35) SMN1; SMN2NPC1RAB9AMAPTTSHR
SCHEMBL3843144 0.72 ABL1 (0.34) SLC22A12
SCHEMBL3773540 0.71 KCNJ11 (0.35) MAPK1CYP1A2CYP3A4CYP2C19SLC22A12

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-20100317698-A1 Polysubstituted Pyridinylaminoalkylene- and Pyridinyloxyalkylene-Cyclopropanamine Compounds, a Process for Their Preparation and Pharmaceutical Compositions Containing Them LES LABORATOIRES SERVIER (FR) 2010-12-16 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-20100317698-A1 Polysubstituted Pyridinylaminoalkylene- and Pyridinyloxyalkylene-Cyclopropanamine Compounds, a Process for Their Preparation and Pharmaceutical Compositions Containing Them CHRNA6, CHRNE, CHRNG SMN1; SMN2 3624/4885NPC1 1976/4885RAB9A 2228/4885

“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.