SCHEMBL6002166

SCHEMBL6002166

CN1CCN(C2=CCCc3ccc(F)cc32)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PAK1 Q13153 2/20 0.42
CHRM1 P11229 1/20 0.42
HRH1 P35367 1/20 0.42
MAPK1 P28482 2/20 0.41
DRD2 P14416 2/20 0.40
HRH4 Q9H3N8 2/20 0.39
HTR3E A5X5Y0 2/20 0.38
HTR3B O95264 2/20 0.38
HTR3A P46098 2/20 0.38
HTR3D Q70Z44 2/20 0.38
HTR3C Q8WXA8 2/20 0.38
LMNA P02545 3/20 0.38
TP53 P04637 3/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL6313428 0.82 DRD1 (0.45) CHRM1DRD2HTR3EHTR3BHTR3A
SCHEMBL3276469 0.72 PARP1 (0.43) PARP1PARP10
SCHEMBL6309067 0.72 HRH3 (0.58) ALDH1A1HRH1MAPK1HRH4TP53
SCHEMBL6305520 0.70 RAB9A (0.58) CHRM1MAPK1TP53MAPTGAA
SCHEMBL24859370 0.68 PARP1 (0.40) PARP1PARP10
SCHEMBL1903261 0.65 DRD1 (0.50) ALDH1A1L3MBTL1DRD2DRD4
SCHEMBL6924885 0.65 ALDH1A1 (0.69) ALDH1A1L3MBTL1PAK1DRD2HTR3E
SCHEMBL19262490 0.65 ALDH1A1 (0.64) ALDH1A1L3MBTL1PAK1CHRM1HRH1
SCHEMBL30609592 0.65 DRD2 (0.53) DRD2PARP1PARP10
SCHEMBL769025 0.65 PARP1 (0.40) PARP1PARP10

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 ALDH1A1 3472/4885L3MBTL1 9/4885PAK1 3558/4885

“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.