SCHEMBL6001959

SCHEMBL6001959

CN1CCN(C2CCCSc3ccc(F)cc32)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.50
HCRTR1 O43613 1/20 0.45
DRD2 P14416 7/20 0.43
HRH1 P35367 3/20 0.43
HTR2C P28335 3/20 0.43
DRD4 P21917 2/20 0.43
TP53 P04637 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
NPC1 O15118 2/20 0.43
MTOR P42345 2/20 0.43
RAB9A P51151 2/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
THPO P40225 1/20 0.43
HIF1A Q16665 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
MAPT P10636 2/20 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
SCHEMBL7664077 0.90 RAD52 (0.46) RAD52DRD2HRH1HTR2CDRD4
SCHEMBL6001602 0.82 HCRTR1 (0.64) HCRTR1DRD2HRH1HTR2CDRD4
SCHEMBL6002172 0.78 OPRM1 (0.51) RAD52HTR2CHTR1A
SCHEMBL6001912 0.77 DRD2 (0.52) RAD52HCRTR1DRD2HRH1HTR2C
SCHEMBL6383997 0.77 DRD2 (0.48) DRD2HRH1HTR2CDRD4TP53
SCHEMBL6002194 0.76 DRD2 (0.60) RAD52DRD2HRH1HTR2CDRD4
SCHEMBL6002146 0.75 HTR1A (0.45) RAD52HTR2CHTR1A
SCHEMBL11759199 0.74 DRD2 (0.61) RAD52DRD2HRH1HTR2CDRD4
SCHEMBL6001682 0.74 RAD52 (0.43) RAD52HTR2CHTR1A
SCHEMBL11760502 0.73 RAD52 (0.74) RAD52DRD2HRH1HTR2CDRD4

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
US-20060166984-A1 Amino substituted benzo(hetero)cyclic derivatives BASF AKTIENGESELLSCHAFT (DE) 2006-07-27 US disclosed
EP-1603395-A2 AMINO SUBSTITUTED BENZO(HETERO)CYCLIC DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2005-12-14 EP disclosed
WO-2004080170-A2 AMINO SUBSTITUTED BENZO(HETERO)CYCLIC DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2004-09-23 WO 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-20060166984-A1 Amino substituted benzo(hetero)cyclic derivatives CBR3, L3MBTL3, BRS3 RAD52 424/4885HCRTR1 275/4885DRD2 1222/4885

“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.