SCHEMBL19212285

SCHEMBL19212285

Cn1ccc2ccc(N3CCN(c4ccccc4)CC3)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.54
DRD2 P14416 3/20 0.54
HTR1A P08908 1/20 0.54
HTR3A P46098 1/20 0.50
FAAH O00519 1/20 0.48
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
KHK P50053 2/20 0.45
EGFR P00533 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
CYP2A6 P11509 1/20 0.42
KCNH2 Q12809 1/20 0.42
GFER P55789 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL7594713 0.87 HTR3A (0.57) HTR6DRD2HTR1AHTR3AMAPT
SCHEMBL7591875 0.85 HTR6 (0.50) HTR6DRD2HTR1AHTR3AFAAH
SCHEMBL7527390 0.84 MAPT (0.48) HTR6DRD2HTR1AFAAHMAPT
SCHEMBL7994183 0.83 HTR6 (0.52) HTR6DRD2HTR1AHTR3AFAAH
SCHEMBL12004436 0.81 HTR3E (0.54) HTR6DRD2HTR1AHTR3AKHK
SCHEMBL12806786 0.73 HTR3A (0.72) HTR1AHTR3AMAPTKDM4ERXFP1
SCHEMBL20242900 0.73 HTR6 (0.56) HTR6DRD2HTR1AHTR3AMAPT
SCHEMBL7258870 0.72 LMNA (0.64) DRD2HTR1AHTR3AMAPTSIGMAR1
SCHEMBL13113721 0.71 HTR6 (0.46) HTR6DRD2HTR1AHTR3AMAPT
SCHEMBL5750019 0.71 KDM4E (0.56) HTR6DRD2HTR1AFAAHMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3414216-B1 ARYLATION OF ALIPHATIC AMINES AAA CHEMISTRY APS (DK) 2020-10-21 EP disclosed
EP-3414216-B1 ARYLATION OF ALIPHATIC AMINES AAA CHEMISTRY APS (DK) 2020-10-21 EP disclosed
US-20190040028-A1 ARYLATION OF ALIPHATIC AMINES AAA CHEMISTRY APS (DK) 2019-02-07 US disclosed
US-20190040028-A1 ARYLATION OF ALIPHATIC AMINES AAA CHEMISTRY APS (DK) 2019-02-07 US disclosed
EP-3414216-A1 ARYLATION OF ALIPHATIC AMINES AAA Chemistry ApS (DK) 2018-12-19 EP disclosed
WO-2017137047-A1 ARYLATION OF ALIPHATIC AMINES AAA CHEMISTRY APS (DK) 2017-08-17 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-20190040028-A1 ARYLATION OF ALIPHATIC AMINES NAT1, AHR, ABL1 HTR6 315/4885DRD2 226/4885HTR1A 385/4885

“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.