SCHEMBL13873243

SCHEMBL13873243

CC1CCN(C(F)F)CC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
PHGDH O43175 1/20 0.34
MGLL Q99685 1/20 0.34
ACHE P22303 2/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
PRMT1 Q99873 1/20 0.33
PRMT8 Q9NR22 1/20 0.33
SIGMAR1 Q99720 4/20 0.33
NPC1 O15118 2/20 0.32
HSP90AA1 P07900 1/20 0.32
HRH3 Q9Y5N1 1/20 0.30
PKM P14618 1/20 0.30
TSHR P16473 1/20 0.30
LMNA P02545 1/20 0.30
RECQL P46063 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL18664012 0.77 MEN1 (0.36) MEN1KMT2AALDH1A1PHGDHMGLL
SCHEMBL18664015 0.77 MEN1 (0.36) MEN1KMT2AALDH1A1PHGDHMGLL
SCHEMBL105496 0.74 ALDH1A1 (0.41) MEN1KMT2AALDH1A1PHGDHMGLL
SCHEMBL13314638 0.72 ALDH1A1 (0.35) MEN1KMT2AALDH1A1PHGDHMGLL
SCHEMBL29044516 0.72 GNAI3 (0.30)
SCHEMBL27442148 0.72 ALDH1A1 (0.33) MEN1KMT2AALDH1A1PHGDHMGLL
SCHEMBL8285970 0.72 HSP90AA1 (0.33) MEN1KMT2AALDH1A1PHGDHMGLL
SCHEMBL8285965 0.72 PHGDH (0.35) MEN1KMT2AALDH1A1PHGDHMGLL
SCHEMBL14375270 0.70 MEN1 (0.35) MEN1KMT2AALDH1A1PHGDHMGLL
SCHEMBL8291054 0.70 MEN1 (0.35) MEN1KMT2AALDH1A1PHGDHMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090093501-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2009-04-09 US disclosed
US-20090093501-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2009-04-09 US disclosed
WO-2009037168-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2009-03-26 WO 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-20090093501-A1 Heterocyclic antiviral compounds CCR5, CCR1, CCR2 MEN1 4450/4885KMT2A 3635/4885ALDH1A1 662/4885

“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.