SCHEMBL2247160

SCHEMBL2247160

CN1CCN(CC(=O)Nc2cccc3nc(N[C@H]4CCc5ccccc54)ccc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.54
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CHRM1 P11229 1/20 0.46
RECQL P46063 1/20 0.45
KDM4E B2RXH2 5/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 2/20 0.43
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
CCKBR P32239 1/20 0.42
GLA P06280 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
GAA P10253 2/20 0.41
MGLL Q99685 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL2240282 0.90 KDM4E (0.50) CYP2C19ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2242727 0.87 KDM4E (0.53) ALDH1A1SMN1; SMN2KMT2AKDM4ETDP1
SCHEMBL2242783 0.86 CYP2C19 (0.48) CYP2C19ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2244205 0.85 MKNK1 (0.42) ALDH1A1SMN1; SMN2KDM4EHTTLMNA
SCHEMBL2240192 0.84 PARP1 (0.42) ALDH1A1SMN1; SMN2KDM4EHTTLMNA
SCHEMBL2242772 0.83 KDM4E (0.43) ALDH1A1SMN1; SMN2KDM4ECCKBRTRPV1
SCHEMBL4101994 0.82 MGLL (0.44) CYP2C19ALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL2244127 0.82 PARP1 (0.42) ALDH1A1SMN1; SMN2KDM4ETRPV1GAA
SCHEMBL2241553 0.81 TRPV1 (0.45) ALDH1A1SMN1; SMN2KDM4ETRPV1GAA
SCHEMBL2244825 0.81 KDM4E (0.44) CYP2C19ALDH1A1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994324-B2 2-aminoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2011-08-09 US claimed
US-20090227584-A1 2-AMINOQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-10 US claimed
US-7994324-B2 2-aminoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2011-08-09 US disclosed
US-20090227584-A1 2-AMINOQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-10 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-20090227584-A1 2-AMINOQUINOLINE DERIVATIVES HTR5A, HTR2C, HTR2B CYP2C19 365/4885ALDH1A1 2103/4885SMN1; SMN2 1337/4885

“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.