SCHEMBL5776752

SCHEMBL5776752

NCCCc1cc2ccccc2o1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.67
AGXT P21549 1/20 0.56
DRD2 P14416 4/20 0.47
DRD3 P35462 3/20 0.47
DRD1 P21728 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTR2B P41595 4/20 0.44
HTR1A P08908 1/20 0.44
DRD5 P21918 1/20 0.43
FLT3 P36888 1/20 0.43
CYP19A1 P11511 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ADRA2A P08913 1/20 0.41

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
SCHEMBL9826461 0.95 LOXL2 (0.65) LOXL2AGXTDRD2DRD3DRD1
SCHEMBL7796043 0.93 LOXL2 (0.62) LOXL2AGXTDRD2DRD3DRD1
SCHEMBL140395 0.89 LOXL2 (0.71) LOXL2AGXTDRD2DRD3DRD1
Iodide SCHEMBL28674174 0.87 LOXL2 (0.69) LOXL2AGXTDRD2DRD3DRD1
SCHEMBL5334857 0.81 LOXL2 (0.56) LOXL2AGXTDRD2DRD3DRD1
SCHEMBL22971168 0.81 LOXL2 (0.56) LOXL2AGXTDRD2DRD3DRD1
SCHEMBL6214405 0.81 LOXL2 (0.56) LOXL2AGXTDRD2DRD3DRD1
SCHEMBL17969036 0.81 LOXL2 (0.61) LOXL2AGXTDRD2DRD3DRD1
SCHEMBL1287509 0.81 LOXL2 (0.56) LOXL2AGXTDRD2DRD3DRD1
SCHEMBL2049247 0.81 LOXL2 (0.56) LOXL2AGXTDRD2DRD3DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060293297-A1 Cyanofluoropyrrolidine derviative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-12-28 US disclosed
EP-1627870-A1 CYANOFLUOROPYRROLIDINE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-02-22 EP disclosed
EP-0283522-B1 TRIAZINE DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE CONTAINING SAME AS EFFECTIVE INGREDIENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1991-02-27 EP disclosed
US-4932998-A LOW PHYTOTOXICITY FOR PADDY RICE PLANTS IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-06-12 US disclosed
EP-0283522-A1 TRIAZINE DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE CONTAINING SAME AS EFFECTIVE INGREDIENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1988-09-28 EP 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-20060293297-A1 Cyanofluoropyrrolidine derviative DPP4, DPP3, NPY4R LOXL2 3761/4885AGXT 3696/4885DRD2 130/4885

“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.