SCHEMBL5465185

SCHEMBL5465185

CCN(CC)c1nccc(-c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
CYP2C9 P11712 2/20 0.39
CYP1A2 P05177 1/20 0.39
KDM4E B2RXH2 2/20 0.39
RAB9A P51151 1/20 0.38
CYP17A1 P05093 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.36
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
GPR3 P46089 1/20 0.35
CRHR1 P34998 1/20 0.35
MAPK1 P28482 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL5460284 0.85 ALDH1A1 (0.45) ALDH1A1CYP2C9CYP1A2KDM4ERAB9A
SCHEMBL5472425 0.80 MAPT (0.44) ALDH1A1CYP2C9CYP1A2KDM4EGPR3
SCHEMBL5467291 0.80 CCNT1 (0.44) ALDH1A1CYP2C9CYP1A2KDM4EMAPT
SCHEMBL5470760 0.80 KDM4E (0.42) ALDH1A1CYP2C9CYP1A2KDM4ERAB9A
SCHEMBL5477980 0.80 ALDH1A1 (0.43) ALDH1A1CYP2C9CYP1A2KDM4ERAB9A
SCHEMBL5467426 0.77 F2 (0.39) ALDH1A1CYP2C9CYP1A2KDM4EPOLB
SCHEMBL5470910 0.77 MEN1 (0.44) ALDH1A1CYP2C9CYP1A2HTTPOLB
SCHEMBL5476994 0.74 CYP17A1 (0.47) ALDH1A1CYP2C9CYP1A2KDM4ERAB9A
SCHEMBL5465680 0.74 CYP1A2 (0.49) ALDH1A1CYP2C9CYP1A2KDM4ERAB9A
SCHEMBL5474606 0.72 MAPT (0.47) ALDH1A1CYP2C9CYP1A2KDM4ECYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099938-A1 Antistress drug and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-03 US disclosed
US-20070099938-A1 Antistress drug and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-03 US disclosed
US-20070099938-A1 Antistress drug and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-03 US disclosed
EP-1679309-A1 ANTISTRESS DRUG AND MEDICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 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-20070099938-A1 Antistress drug and medical use thereof NPSR1, MC2R, SRR ALDH1A1 2447/4885CYP2C9 499/4885CYP1A2 500/4885

“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.