SCHEMBL20202159

SCHEMBL20202159

CNC(=O)[C@@H]1CCN1c1cccc(Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.43
HTR3B O95264 3/20 0.43
HTR3A P46098 3/20 0.43
HTR3D Q70Z44 3/20 0.43
HTR3C Q8WXA8 3/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 4/20 0.39
ALOX5 P09917 2/20 0.38
GAA P10253 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EGLN2 Q96KS0 1/20 0.37
CHRM4 P08173 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
GRM4 Q14833 1/20 0.35

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
SCHEMBL20202158 0.80 EGLN2 (0.38) CYP2D6ALDH1A1EGLN2
SCHEMBL20206899 0.78 EGLN2 (0.37) ALDH1A1EGLN2SMN1; SMN2
SCHEMBL28552581 0.76 ADORA2A (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL21723551 0.75 KMT2A (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL21723552 0.75 KMT2A (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29658954 0.70 MMP1 (0.46) ALDH1A1EGLN2SMN1; SMN2
SCHEMBL11289949 0.70 HTR3E (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3723034 0.69 LMNA (0.51) CYP1A2CYP2D6KMT2AEGLN2
SCHEMBL4234258 0.68 HTR3E (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29242604 0.68 HTR3E (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C

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-20180148457-A1 FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-05-31 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-20180148457-A1 FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS CAMK1, CAMKK1, CAMK1D HTR3E 3634/4885HTR3B 3271/4885HTR3A 3222/4885

“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.