SCHEMBL6001630

SCHEMBL6001630

CN1CCN(C2=CCCSc3cc(Cl)ccc32)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.44
DRD4 P21917 5/20 0.44
TP53 P04637 3/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HRH4 Q9H3N8 3/20 0.39
HTR3A P46098 2/20 0.39
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 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
SCHEMBL6002212 0.80 DRD2 (0.49) DRD2DRD4CYP2D6CYP2C19CHRM2
SCHEMBL6001697 0.76 DRD2 (0.47) DRD2DRD4TP53LMNAHTT
SCHEMBL6001944 0.76 DRD2 (0.44) DRD2TP53LMNAHTTNPSR1
SCHEMBL6001718 0.66 DRD2 (0.52) DRD2DRD4CYP2D6CYP2C19CHRM2
SCHEMBL11163618 0.64 VHL (0.51) LMNAHTTNPSR1MAPTGAA
SCHEMBL6001929 0.64 DRD2 (0.51) DRD2DRD4TP53LMNAMAPT
SCHEMBL19403575 0.63 ALDH1A1 (0.67) TP53LMNANPSR1POLBMAPT
SCHEMBL24444523 0.63 TP53 (0.84) DRD2DRD4TP53LMNAHTT
SCHEMBL14922275 0.62 POLB (0.71) DRD2DRD4LMNAHTTPOLB
SCHEMBL10872963 0.62 DRD2 (0.62) DRD2DRD4TP53LMNAHTT

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 DRD2 1222/4885DRD4 2332/4885TP53 4086/4885

“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.