SCHEMBL6132670

SCHEMBL6132670

COc1cccc(CC2CN(C(=O)OC(C)(C)C)CCN2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.45
P2RX3 P56373 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
SLC2A1 P11166 1/20 0.42
EED O75530 2/20 0.42
TGFBR1 P36897 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
ROCK2 O75116 2/20 0.41
ABL1 P00519 1/20 0.41
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41
ABL2 P42684 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
CA9 Q16790 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP30 Q70CQ3 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
SCHEMBL13705102 1.00 CCR3 (0.45) CCR3P2RX3KMT2AMEN1SLC2A1
SCHEMBL21169224 0.87 CCR3 (0.47) CCR3KMT2AMEN1EEDTMEM97
SCHEMBL19049075 0.86 CCR3 (0.51) CCR3KMT2AMEN1EEDCA1
SCHEMBL4281534 0.86 CCR3 (0.49) CCR3KMT2AMEN1EEDCA1
SCHEMBL17058 0.86 CA1 (0.54) CA1CA2CA4CA9KDM4E
SCHEMBL2943387 0.86 CA1 (0.54) CA1CA2CA4CA9KDM4E
SCHEMBL3494790 0.86 CA1 (0.54) CA1CA2CA4CA9KDM4E
SCHEMBL19002806 0.84 CCR3 (0.47) CCR3KMT2AMEN1EEDCA1
SCHEMBL4972391 0.80 GPR119 (0.47) CA1CA2CA4CA9USP30
SCHEMBL779489 0.80 NAMPT (0.48) CA1CA2CA4CA9USP30

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 CCR3 1940/4885P2RX3 105/4885KMT2A 829/4885
US-20030114668-A1 AROYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS TACR1, NPSR1, SSTR2 CCR3 1359/4885P2RX3 212/4885KMT2A 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.