SCHEMBL20455758

SCHEMBL20455758

Clc1ccc(CN2CCC3(CCNC3)C2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.64
CYP3A4 P08684 4/20 0.64
TSHR P16473 4/20 0.64
CYP1A2 P05177 1/20 0.62
KDM1A O60341 1/20 0.56
MAOB P27338 1/20 0.56
RCOR1 Q9UKL0 1/20 0.56
CYP2C19 P33261 3/20 0.54
ALDH1A1 P00352 3/20 0.54
CYP2C9 P11712 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
HIF1A Q16665 1/20 0.54
USP2 O75604 1/20 0.52
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PDCD1LG2 Q9BQ51 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
MAPK1 P28482 1/20 0.45
GPR183 P32249 1/20 0.44

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
SCHEMBL1426593 0.87 CYP2D6 (0.84) CYP2D6CYP3A4TSHRCYP1A2KDM1A
SCHEMBL20556630 0.86 CYP2D6 (0.59) CYP2D6CYP3A4TSHRCYP1A2KDM1A
Hydrochloric Acid SCHEMBL20455783 0.86 CYP2D6 (0.61) CYP2D6CYP3A4TSHRCYP1A2KDM1A
Hydrochloric Acid SCHEMBL3013775 0.85 CYP2D6 (0.82) CYP2D6CYP3A4TSHRCYP1A2KDM1A
SCHEMBL19850536 0.85 CYP3A4 (0.85) CYP2D6CYP3A4TSHRCYP1A2KDM1A
SCHEMBL22248489 0.83 CYP2D6 (0.59) CYP2D6CYP3A4TSHRCYP1A2KDM1A
SCHEMBL20558033 0.82 CYP2D6 (0.51) CYP2D6CYP3A4TSHRCYP1A2KDM1A
Hydrochloric Acid SCHEMBL20455796 0.82 CYP2D6 (0.57) CYP2D6CYP3A4TSHRCYP1A2KDM1A
Hydrochloric Acid SCHEMBL20455756 0.80 CYP3A4 (0.57) CYP2D6CYP3A4TSHRCYP1A2KDM1A
Hydrochloric Acid SCHEMBL20455757 0.79 PDCD1LG2 (0.51) CYP2D6CYP3A4TSHRCYP1A2KDM1A

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-20200048267-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2020-02-13 US disclosed
US-10385057-B2 Pyrazole compounds and methods of making and using same LUNDBECK LA JOLLA RESEARCH CENTER, INC. (US) 2019-08-20 US disclosed
WO-2018141984-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2018-08-09 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 (2 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-20200048267-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN CYP2D6 4092/4885CYP3A4 4278/4885TSHR 4632/4885
US-10385057-B2 Pyrazole compounds and methods of making and using same FAAH, FAAH2, MGLL CYP2D6 114/4885CYP3A4 193/4885TSHR 4145/4885

“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.