SCHEMBL20063877

SCHEMBL20063877

Cc1ccc([C@H]2CC[C@H](N)[C@@H](N(C)C)C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP1LC3B Q9GZQ8 1/20 0.36
KDM1A O60341 2/20 0.36
LMNA P02545 2/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
MAOB P27338 5/20 0.33
MAOA P21397 2/20 0.33
SLC18A3 Q16572 1/20 0.33
DPP4 P27487 1/20 0.32
SPHK1 Q9NYA1 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C1 Q04828 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL20063902 0.85 AKR1C3 (0.46) KDM1ALMNAHTR2CMAOBMAOA
SCHEMBL20072886 0.81 HTR2C (0.44) KDM1AHTR2AHTR2CHTR2BMAOB
SCHEMBL21306629 0.81 HTR2C (0.46) MAP1LC3BKDM1AHTR2AHTR2CHTR2B
SCHEMBL20063856 0.80 HTR2C (0.37) KDM1ALMNAHTR2CMAOBMAOA
SCHEMBL21294673 0.78 SLC6A2 (0.43)
SCHEMBL735510 0.75 SPHK1 (0.44) MAP1LC3BLMNAHTR2ASPHK1CYP3A4
SCHEMBL21306749 0.75 SCN9A (0.40) KDM1A
SCHEMBL734536 0.74 MAOB (0.42) MAP1LC3BKDM1ALMNAHTR2AHTR2C
SCHEMBL13476556 0.74 MAOB (0.42) MAP1LC3BKDM1ALMNAHTR2AHTR2C
SCHEMBL12463654 0.74 MAOB (0.42) MAP1LC3BKDM1ALMNAHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 MAP1LC3B 4705/4885KDM1A 2873/4885LMNA 1680/4885

“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.