SCHEMBL4097391

SCHEMBL4097391

CN1CCN(CC(=O)Nc2ccc3nc(NC4CCc5cccc(F)c54)ccc3c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.43
EGFR P00533 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TERT O14746 1/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
MGLL Q99685 1/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ESR1 P03372 2/20 0.39
PDGFRB P09619 2/20 0.39
KDR P35968 2/20 0.39

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
SCHEMBL3408996 0.89 DRD4 (0.44) DRD4MAPTKMT2APOLBALDH1A1
SCHEMBL4101994 0.86 MGLL (0.44) DRD4EGFRTERTLMNAHTT
SCHEMBL3413449 0.86 TRPV1 (0.42) DRD4EGFRL3MBTL1TERTHTT
SCHEMBL4097152 0.85 CCNT1 (0.39) EGFRL3MBTL1MAPTKMT2AKDM4E
SCHEMBL3409108 0.84 USP2 (0.43) DRD4L3MBTL1TERTHTTKMT2A
SCHEMBL4116978 0.84 MGLL (0.39) DRD4TERTMAPTKMT2AMGLL
SCHEMBL3413443 0.83 MEN1 (0.37) MAPTLMNAKMT2APOLBALDH1A1
SCHEMBL4116721 0.82 DRD4 (0.42) DRD4MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL4097577 0.81 ALDH1A1 (0.45) DRD4MAPTLMNAHTTKMT2A
SCHEMBL3414719 0.80 NPY1R (0.45)

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 DRD4 96/4885EGFR 1621/4885L3MBTL1 4395/4885

“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.