SCHEMBL624174

SCHEMBL624174

O=C(c1ccccn1)C1(c2cccc(C(F)(F)F)c2)CCC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.50
CCR2 P41597 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
BRAF P15056 1/20 0.41
VNN1 O95497 1/20 0.41
RAB9A P51151 1/20 0.41
NR3C1 P04150 1/20 0.41
SLC6A4 P31645 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
CES1 P23141 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40

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
SCHEMBL624708 0.90 TLR7 (0.44) TLR7ALDH1A1MEN1KMT2ARAB9A
SCHEMBL15011536 0.86 TLR7 (0.51) TLR7ALDH1A1MEN1KMT2ANR3C1
SCHEMBL625121 0.86 TLR7 (0.41) TLR7ALDH1A1MEN1KMT2ARAB9A
SCHEMBL14893822 0.84 TLR7 (0.40) TLR7ALDH1A1MEN1KMT2ARAB9A
SCHEMBL15011470 0.84 P2RX7 (0.50) TLR7ALDH1A1KMT2AHDAC3HDAC1
SCHEMBL14893703 0.83 TLR7 (0.44) TLR7ALDH1A1MEN1KMT2ABRAF
SCHEMBL14894685 0.83 TLR7 (0.46) TLR7ALDH1A1MEN1KMT2AHDAC3
SCHEMBL625382 0.82 RAB9A (0.46) TLR7ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL624915 0.81 HDAC4 (0.52) ALDH1A1MEN1KMT2AHDAC3HDAC1
SCHEMBL625389 0.81 HDAC1 (0.46) HDAC3HDAC1HDAC2HDAC6NR3C1

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-9156788-B2 TRPV3 modulators ABBVIE INC. (US) 2015-10-13 US disclosed
EP-2603490-A1 NOVEL TRPV3 MODULATORS AbbVie Inc. (US) 2013-06-19 EP disclosed
US-20130150409-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-06-13 US disclosed
WO-2012019315-A1 NOVEL TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-02-16 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-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TLR7 1619/4885CCR2 1169/4885ALDH1A1 2560/4885

“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.