SCHEMBL4887653

SCHEMBL4887653

CC1CCN(C(=O)Oc2noc3cc(Cl)ccc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FAAH O00519 1/20 0.46
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GRM5 P41594 1/20 0.40
GLA P06280 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL4882305 0.86 ALDH1A1 (0.51) ALDH1A1KMT2AFAAHSMN1; SMN2MAPT
SCHEMBL4704006 0.80 GAA (0.45) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL1574523 0.77 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL4705335 0.76 GAA (0.46) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL4886065 0.74 KMT2A (0.54) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL10458902 0.72 GAA (0.72) ALDH1A1KMT2AMEN1GAASMN1; SMN2
SCHEMBL606526 0.71 HTR2A (0.60) HTR2ADRD3
SCHEMBL7282325 0.70 ALDH1A1 (0.47) ALDH1A1KMT2AHTR2ADRD3CHRNA7
Hydrochloric Acid SCHEMBL7271099 0.69 ALDH1A1 (0.46) ALDH1A1KMT2AHTR2ADRD3CHRNA7
SCHEMBL8844803 0.69 GAA (0.67) ALDH1A1KMT2AMEN1FAAHGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921404-B2 Azole derivatives in the form of lipase and phospholipase inhibitors SANOFI (FR) 2014-12-30 US disclosed
US-20080090867-A1 Antidiabetic agents; compounds have insulin-like effect; optionally ring C4-7 aza-substituted 3-substituted benzisoxazoles or benzisothiazoles; 1-(2-Methylbenzyl)-3-(5-nitrobenzo[d]isothiazol-3-yl)urea for example SANOFI-AVENTIS (FR) 2008-04-17 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-20080090867-A1 Antidiabetic agents; compounds have insulin-like effect; optionally ring C4-7 aza-substituted 3-substituted benzisoxazoles or benzisothiazoles; 1-(2-Methylbenzyl)-3-(5-nitrobenzo[d]isothiazol-3-yl)urea for example FABP4, GPR119, LIPE ALDH1A1 647/4885KMT2A 2135/4885MEN1 4408/4885

“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.