SCHEMBL6132818

SCHEMBL6132818

CC(C)C[C@H]1COCC(=O)N1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
PAX8 Q06710 1/20 0.40
GRM5 P41594 2/20 0.39
ELANE P08246 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
EHMT2 Q96KQ7 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
AGTR2 P50052 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CCR5 P51681 1/20 0.37

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
SCHEMBL6133023 0.85 P2RX7 (0.45) P2RX7MEN1KMT2AGAAELANE
SCHEMBL6133226 0.85 P2RX7 (0.45) P2RX7MEN1KMT2AGAAELANE
SCHEMBL12018713 0.82 P2RX7 (0.46) P2RX7MEN1KMT2AELANEHCRTR1
SCHEMBL12495007 0.82 P2RX7 (0.47) P2RX7MEN1KMT2AGAAHCRTR1
SCHEMBL10215486 0.82 P2RX7 (0.47) P2RX7MEN1KMT2AGAAHCRTR1
SCHEMBL1008150 0.79 P2RX7 (0.46) P2RX7MEN1KMT2AHCRTR1HCRTR2
SCHEMBL1189963 0.79 P2RX7 (0.46) P2RX7MEN1KMT2AHCRTR1HCRTR2
SCHEMBL1008151 0.79 P2RX7 (0.46) P2RX7MEN1KMT2AHCRTR1HCRTR2
SCHEMBL12018716 0.77 P2RX7 (0.44) P2RX7MEN1KMT2AGRM5HCRTR1
SCHEMBL20637914 0.77 P2RX7 (0.44) P2RX7MEN1KMT2AGRM5HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1255401-C Aroyl-piperazine derivatives, their preparation and their use as tachykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2006-05-10 CN disclosed
US-6924278-B2 Heterocyclic carboxy amines such as (2R)-1-[3,5-Bis(trifluoromethyl)benzoyl]-4-[4-((3S)-3-ethylmorpholino)-2-butynyl]-2-[(1H-indol-3-yl)methyl]piperazine, used as substance P and neurokinin antagonist for prophylaxis of diseases FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-02 US disclosed
US-20050027121-A1 Aroyl-piperazine derivatives, their preparation and their use as tachykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-02-03 US disclosed
US-20030114668-A1 AROYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-19 US disclosed
CN-1266431-A Aroyl-piperazine derivatives, their preparation and their use as tachykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2000-09-13 CN disclosed
EP-0993457-A1 AROYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP disclosed
WO-1998057954-A1 AROYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-23 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 (2 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-20050027121-A1 Aroyl-piperazine derivatives, their preparation and their use as tachykinin antagonists TAC3, TACR1, SSTR5 P2RX7 124/4885MEN1 1830/4885KMT2A 829/4885
US-20030114668-A1 AROYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS TACR1, NPSR1, SSTR2 P2RX7 290/4885MEN1 1520/4885KMT2A 1097/4885

“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.