SCHEMBL4101994

SCHEMBL4101994

CN1CCN(CC(=O)Nc2ccc3nc(N[C@@H]4CCc5ccccc54)ccc3c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
TERT O14746 1/20 0.44
ALDH1A1 P00352 4/20 0.42
DRD4 P21917 4/20 0.42
TSHR P16473 1/20 0.42
EGFR P00533 1/20 0.42
ESR1 P03372 2/20 0.41
PDGFRB P09619 2/20 0.41
KDR P35968 2/20 0.41
RAB9A P51151 1/20 0.41
ABCB1 P08183 1/20 0.41
KDM4E B2RXH2 2/20 0.40
CYP2C19 P33261 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL3413449 0.89 TRPV1 (0.42) TERTALDH1A1DRD4EGFRESR1
SCHEMBL3409108 0.89 USP2 (0.43) MGLLTERTALDH1A1DRD4TSHR
SCHEMBL7604739 0.87 CTSS (0.49) SMN1; SMN2GAAALDH1A1RAB9AKDM4E
SCHEMBL4097391 0.86 DRD4 (0.43) MGLLLMNASMN1; SMN2GAATERT
SCHEMBL3408996 0.85 DRD4 (0.44) SMN1; SMN2ALDH1A1DRD4TSHRESR1
SCHEMBL3413128 0.84 PLAU (0.41) GAAALDH1A1RAB9AKDM4EHTT
SCHEMBL3408455 0.83 EPHX2 (0.46) LMNAALDH1A1
SCHEMBL4109902 0.83 MAPT (0.44) ALDH1A1RAB9AKDM4E
SCHEMBL2247160 0.82 CYP2C19 (0.54) MGLLLMNASMN1; SMN2GAAALDH1A1
SCHEMBL3432977 0.82 CHRM3 (0.41) ALDH1A1

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-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US claimed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 US claimed
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US disclosed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 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-20090227570-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2A MGLL 4035/4885LMNA 2383/4885SMN1; SMN2 3345/4885

“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.