SCHEMBL5378968

SCHEMBL5378968

CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)C[C@H]1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
NR1H2 P55055 2/20 0.52
NR1H3 Q13133 2/20 0.52
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA4 P22748 2/20 0.48
CA9 Q16790 2/20 0.48
SIGMAR1 Q99720 3/20 0.47
HIF1A Q16665 1/20 0.47
EPAS1 Q99814 1/20 0.47
KCNH2 Q12809 1/20 0.47
DPP4 P27487 2/20 0.46
DPP7 Q9UHL4 1/20 0.46
PARP1 P09874 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
BACE1 P56817 1/20 0.45
FAAH O00519 1/20 0.45

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
SCHEMBL8448438 0.92 NR1H2 (0.58) NR1H2NR1H3CA1CA2CA4
SCHEMBL6099695 0.92 NR1H2 (0.58) NR1H2NR1H3CA1CA2CA4
SCHEMBL3551800 0.90 LMNA (0.55) LMNACA1CA2CA4CA9
SCHEMBL3555555 0.90 LMNA (0.55) LMNACA1CA2CA4CA9
SCHEMBL8229118 0.89 NR1H2 (0.54) LMNANR1H2NR1H3CA1CA2
SCHEMBL6099031 0.89 NR1H2 (0.54) NR1H2NR1H3CA1CA2CA4
SCHEMBL5369120 0.89 NR1H2 (0.54) NR1H2NR1H3CA1CA2CA4
SCHEMBL3506136 0.89 NR1H2 (0.54) NR1H2NR1H3CA1CA2CA4
SCHEMBL3495123 0.89 NR1H2 (0.54) NR1H2NR1H3CA1CA2CA4
SCHEMBL13705076 0.88 NR1H2 (0.53) LMNANR1H2NR1H3CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070123532-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2007-05-31 US disclosed
US-7166598-B2 e.g 1-[3,5-bis(trifluoromethyl)benzoyl]-2-[3-[(2-methoxyethoxy)-methoxy]-4-methylbenzyl]-4-[2-[(3R)-3-methoxymethyl-morpholino]ethyl]piperazine; treating or preventing Tachykinin-mediated diseases such as asthma, emesis, an anxiety disorder, pollakiuria, urinary incontinence and irritable bowel syndrome ASTELLAS PHARMA INC. (JP) 2007-01-23 US disclosed
EP-1140924-B1 PIPERAZINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2006-03-22 EP disclosed
US-20060014948-A1 e.g 1-[3,5-bis(trifluoromethyl)benzoyl]-2-[3-[(2-methoxyethoxy)-methoxy]-4-methylbenzyl]-4-[2-[(3R)-3-methoxymethyl-morpholino]ethyl]piperazine; treating or preventing Tachykinin-mediated diseases in humans or animals FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2006-01-19 US disclosed
CN-1152877-C Piperazine derivatives ����ҩƷ��ҵ��ʽ���� 2004-06-09 CN disclosed
CN-1334812-A Piperazine derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2002-02-06 CN disclosed
EP-1140924-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
WO-2000035915-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-06-22 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-20060014948-A1 e.g 1-[3,5-bis(trifluoromethyl)benzoyl]-2-[3-[(2-methoxyethoxy)-methoxy]-4-methylbenzyl]-4-[2-[(3R)-3-methoxymethyl-morpholino]ethyl]piperazine; treating or preventing Tachykinin-mediated diseases in humans or animals PKD2, TAC3, PKD1 LMNA 2980/4885NR1H2 2405/4885NR1H3 3266/4885
US-20070123532-A1 PIPERAZINE DERIVATIVES PKD2, SSTR5, IL5 LMNA 3655/4885NR1H2 2661/4885NR1H3 3755/4885

“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.