SCHEMBL20063902

SCHEMBL20063902

CN(C)[C@H]1C[C@@H](c2ccccc2)CC[C@@H]1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.46
AKR1C1 Q04828 1/20 0.46
MAOB P27338 8/20 0.42
MAOA P21397 7/20 0.42
KDM1A O60341 5/20 0.42
CYP2C19 P33261 4/20 0.42
CYP2B6 P20813 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
LMNA P02545 2/20 0.42
TAAR1 Q96RJ0 2/20 0.42
CYP3A4 P08684 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
CYP2A6 P11509 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2C P28335 1/20 0.42
ADRA1A P35348 1/20 0.42
DRD3 P35462 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
SCHEMBL20063856 0.88 HTR2C (0.37) AKR1C3AKR1C1MAOBMAOAKDM1A
SCHEMBL20063877 0.85 MAP1LC3B (0.36) AKR1C3AKR1C1MAOBMAOAKDM1A
SCHEMBL21306629 0.83 HTR2C (0.46) KDM1AHTR2CDRD3SLC6A3
SCHEMBL20063901 0.82 SLC6A2 (0.44) TAAR1SLC6A2HTR2CSLC6A3
SCHEMBL20072886 0.80 HTR2C (0.44) MAOBMAOAKDM1AHTR2CRCOR1
SCHEMBL20063859 0.78 HTR2C (0.49) KDM1AHTR2C
SCHEMBL28491550 0.78 HTR2C (0.49) KDM1AHTR2C
SCHEMBL20063858 0.78 HTR2C (0.49) KDM1AHTR2C
SCHEMBL3968243 0.77 AKR1C3 (0.55) AKR1C3AKR1C1MAOBMAOAKDM1A
SCHEMBL3966251 0.77 AKR1C3 (0.55) AKR1C3AKR1C1MAOBMAOAKDM1A

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-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-16 US disclosed
US-10457654-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2019-10-29 US disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 US disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 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 (3 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-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 AKR1C3 327/4885AKR1C1 751/4885MAOB 2190/4885
US-10457654-B2 Therapeutic compounds and methods of use thereof NPY5R, REN, F12 AKR1C3 327/4885AKR1C1 751/4885MAOB 2190/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 AKR1C3 333/4885AKR1C1 742/4885MAOB 2113/4885

“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.