SCHEMBL16968352

SCHEMBL16968352

CCC#C[C@H]1NCCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRCP P42785 8/20 0.49
SLC22A1 O15245 1/20 0.45
GAA P10253 1/20 0.45
GID4 Q8IVV7 1/20 0.42
RECQL P46063 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
OPRM1 P35372 2/20 0.39
OPRK1 P41145 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL29040260 0.75 PRCP (0.53) PRCPSLC22A1GAAGID4RECQL
SCHEMBL95058 0.75 PRCP (0.53) PRCPSLC22A1GAAGID4RECQL
SCHEMBL1033480 0.75 PRCP (0.53) PRCPSLC22A1GAAGID4RECQL
SCHEMBL29768301 0.71 PRCP (0.68) PRCPSLC22A1GAAOPRM1OPRK1
SCHEMBL16455043 0.71 PRCP (0.68) PRCPSLC22A1GAAOPRM1OPRK1
SCHEMBL1011090 0.71 PRCP (0.68) PRCPSLC22A1GAAOPRM1OPRK1
SCHEMBL10226238 0.71 PRCP (0.68) PRCPSLC22A1GAAOPRM1OPRK1
SCHEMBL1009943 0.69 PRCP (0.64) PRCPSLC22A1GAAOPRM1OPRK1
SCHEMBL24809356 0.69 TSHR (0.65) PRCPSLC22A1GAATSHRNPSR1
SCHEMBL16968355 0.69 PRCP (0.59) PRCPSLC22A1GAAOPRM1OPRK1

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-20150218103-A1 GAPDH CASCADE INHIBITOR COMPOUNDS AND METHODS OF USE AND TREATMENT OF STRESS INDUCED DISORDERS INCLUDING MENTAL ILLNESS UNIV JOHNS HOPKINS (US) 2015-08-06 US claimed

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-20150218103-A1 GAPDH CASCADE INHIBITOR COMPOUNDS AND METHODS OF USE AND TREATMENT OF STRESS INDUCED DISORDERS INCLUDING MENTAL ILLNESS GAPDH, CREBBP, PDK1 PRCP 2662/4885SLC22A1 3542/4885GAA 73/4885

“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.