SCHEMBL9951095

SCHEMBL9951095

Cc1nnc(CCC2(c3ccccc3)CC2(OC(=O)C(F)(F)F)C(=O)Nc2ccc(Cl)cn2)o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
RAB9A P51151 5/20 0.36
LMNA P02545 3/20 0.36
TSHR P16473 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
HTT P42858 3/20 0.35
NPC1 O15118 3/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.34
ALOX15 P16050 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 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
Trifluoroacetic Acid SCHEMBL9951090 0.76 HCRTR2 (0.54) HCRTR1HCRTR2
SCHEMBL10189151 0.74 HCRTR2 (0.58) HCRTR1HCRTR2MEN1KMT2ANPSR1
SCHEMBL11024703 0.60 ALDH1A1 (0.69) RAB9ALMNATSHRL3MBTL1HTT
SCHEMBL9951443 0.59 HSD11B1 (0.38) HCRTR1HCRTR2RAB9AMEN1KMT2A
SCHEMBL4124368 0.57 L3MBTL1 (0.75) RAB9ALMNATSHRL3MBTL1MEN1
SCHEMBL11034892 0.56 TDP1 (0.69) RAB9ALMNATSHRL3MBTL1KMT2A
Trifluoroacetic Acid SCHEMBL28688522 0.55 L3MBTL1 (0.55) RAB9ALMNATSHRL3MBTL1KMT2A
Trifluoroacetic Acid SCHEMBL29557332 0.55 L3MBTL1 (0.55) RAB9ALMNATSHRL3MBTL1MEN1
Trifluoroacetic Acid SCHEMBL28707111 0.55 L3MBTL1 (0.55) RAB9ALMNATSHRL3MBTL1MEN1
SCHEMBL7069217 0.55 KMT2A (0.79) RAB9ATSHRL3MBTL1MEN1KMT2A

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-20120165339-A1 CYCLOPROPANE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-28 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-20120165339-A1 CYCLOPROPANE DERIVATIVES HCRTR2, HCRTR1, CNR1 HCRTR1 2/4885HCRTR2 1/4885RAB9A 1468/4885

“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.