SCHEMBL623354

SCHEMBL623354

Cc1ccc(C(=O)N2CCNC(=O)C2)cc1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
HRH3 Q9Y5N1 1/20 0.49
HSD11B1 P28845 1/20 0.48
HSP90AA1 P07900 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
TLR8 Q9NR97 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
PKM P14618 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
PARP1 P09874 2/20 0.42
RAB9A P51151 1/20 0.42
CCNT1 O60563 1/20 0.42
CDK9 P50750 1/20 0.42

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
SCHEMBL17850244 0.91 POLB (0.56) POLBTDP1HRH3HSD11B1HSP90AA1
SCHEMBL31464419 0.85 POLB (0.50) POLBTDP1HRH3HSP90AA1KMT2A
SCHEMBL24746207 0.83 KMT2A (0.54) HSD11B1KMT2AMEN1TLR8TLR7
SCHEMBL9971990 0.83 HSP90AA1 (0.54) POLBTDP1HRH3HSP90AA1KMT2A
Hydrochloric Acid SCHEMBL623790 0.82 HPGD (0.55) HSD11B1KMT2AMEN1TLR8TLR7
SCHEMBL12093445 0.81 PKM (0.67) POLBTDP1HRH3HSP90AA1KMT2A
SCHEMBL21170645 0.81 HRH3 (0.54) POLBTDP1HRH3HSD11B1HSP90AA1
SCHEMBL9971921 0.81 P2RX7 (0.49) POLBTDP1HRH3HSD11B1HSP90AA1
SCHEMBL9971991 0.80 HSP90AA1 (0.51) POLBTDP1HRH3HSP90AA1KMT2A
SCHEMBL17850234 0.80 POLB (0.59) POLBTDP1HSD11B1HSP90AA1KMT2A

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-8999974-B2 Acyl piperazine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-04-07 US disclosed
US-20130150356-A1 Acyl Piperazine Derivatives as TTX-S Blockers RAQUALIA PHARMA INC. (JP) 2013-06-13 US disclosed
WO-2012020567-A1 ACYL PIPERAZINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 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-20130150356-A1 Acyl Piperazine Derivatives as TTX-S Blockers SCN5A, SCN2A, CACNA1G POLB 3044/4885TDP1 2850/4885HRH3 2457/4885

“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.