SCHEMBL21531658

SCHEMBL21531658

CCN(OC(=O)[C@H]1NC(=O)C[C@H]1c1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.44
HTT P42858 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 4/20 0.41
GPBAR1 Q8TDU6 2/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
MC4R P32245 1/20 0.37
FPR1 P21462 1/20 0.36
FPR2 P25090 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
CRHBP P24387 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
SCHEMBL21531659 0.89 NPSR1 (0.44) NPSR1HTTCYP2C9CYP2C19ALDH1A1
SCHEMBL21531660 0.79 PDE4B (0.47) CYP1A2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL16065869 0.78 HTT (0.47) NPSR1HTTCYP1A2CYP2D6CYP2C9
SCHEMBL16055833 0.73 ALDH1A1 (0.46) NPSR1ALDH1A1GPBAR1LMNAMC4R
SCHEMBL6768435 0.73 NPSR1 (0.57) NPSR1HTTCYP1A2CYP2D6CYP2C19
SCHEMBL8744093 0.71 ALDH1A1 (0.60) NPSR1CYP2D6ALDH1A1LMNAKDM4E
SCHEMBL9745628 0.66 ALDH1A1 (0.59) NPSR1ALDH1A1LMNAMAPTKDM4E
SCHEMBL9745453 0.66 ALDH1A1 (0.59) NPSR1ALDH1A1LMNAMAPTKDM4E
SCHEMBL9745446 0.66 ALDH1A1 (0.59) NPSR1ALDH1A1LMNAMAPTKDM4E
SCHEMBL17523286 0.66 SLC6A3 (0.41) NPSR1ALDH1A1GPBAR1TP53MAPT

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-20190337955-A1 ACTIVATION OF CARBONYL BETA-CARBONS FOR CHEMICAL TRANSFORMATIONS UNIV NANYANG TECH (SG) 2019-11-07 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-20190337955-A1 ACTIVATION OF CARBONYL BETA-CARBONS FOR CHEMICAL TRANSFORMATIONS CBR1, CBR3, CAT NPSR1 3264/4885HTT 4695/4885CYP1A2 29/4885

“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.