SCHEMBL14264751

SCHEMBL14264751

CCCC(NC(=O)C1CC1)C(=O)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.55
SIGMAR1 Q99720 3/20 0.54
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
DRD4 P21917 2/20 0.51
DRD2 P14416 1/20 0.51
DRD3 P35462 1/20 0.51
KMT2A Q03164 1/20 0.51
POLB P06746 1/20 0.51
USP2 O75604 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
DPP7 Q9UHL4 1/20 0.50

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
SCHEMBL5121666 0.84 CYP2C19 (0.53) CYP2C19SMN1; SMN2L3MBTL1SIGMAR1TSHR
SCHEMBL5130455 0.78 BCHE (0.49) CYP2C19SMN1; SMN2SIGMAR1ALDH1A1TSHR
SCHEMBL3306841 0.78 SIGMAR1 (0.68) CYP2C19SMN1; SMN2SIGMAR1ALDH1A1DRD4
SCHEMBL5124876 0.77 SIGMAR1 (0.57) SIGMAR1
SCHEMBL7268908 0.76 SIGMAR1 (0.79) L3MBTL1SIGMAR1POLB
SCHEMBL4848461 0.76 SIGMAR1 (0.65) CYP2C19SMN1; SMN2SIGMAR1ALDH1A1DRD4
SCHEMBL29712058 0.76 SIGMAR1 (0.65) CYP2C19SMN1; SMN2SIGMAR1ALDH1A1DRD4
SCHEMBL13453086 0.76 TSHR (0.60) CYP2C19SIGMAR1TSHRDRD4CYP2D6
SCHEMBL15992138 0.75 DRD2 (0.65) SIGMAR1DRD4DRD2DPP7
SCHEMBL20183393 0.75 DRD2 (0.65) SIGMAR1DRD4DRD2DPP7

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-20080064680-A1 Methods for Diagnosis and Treatment of Cancer MINERVA BIOTECHNOLOGIES CORPORATION 2008-03-13 US disclosed
US-20080064680-A1 Methods for Diagnosis and Treatment of Cancer MINERVA BIOTECHNOLOGIES CORPORATION 2008-03-13 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-20080064680-A1 Methods for Diagnosis and Treatment of Cancer MUC1, CD44, TP53 CYP2C19 4872/4885SMN1; SMN2 4158/4885L3MBTL1 1967/4885

“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.