SCHEMBL5361771

SCHEMBL5361771

COC[C@@H]1CN(Cc2ccccc2)[C@@H](C)CO1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
DRD4 P21917 5/20 0.43
HRH2 P25021 1/20 0.41
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
CHI3L1 P36222 1/20 0.37
CHIT1 Q13231 1/20 0.37
CHIA Q9BZP6 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
SCHEMBL31049458 1.00 MAPT (0.47) MAPTDRD4HRH2PDK1PDK2
SCHEMBL13059797 0.84 MAPT (0.50) MAPTHRH2PDK1PDK2PDK3
SCHEMBL13059798 0.84 MAPT (0.50) MAPTHRH2PDK1PDK2PDK3
SCHEMBL3540797 0.84 MAPT (0.50) MAPTHRH2PDK1PDK2PDK3
SCHEMBL4072294 0.84 MAPT (0.50) MAPTHRH2PDK1PDK2PDK3
SCHEMBL13985605 0.84 MAPT (0.50) MAPTHRH2PDK1PDK2PDK3
SCHEMBL3535329 0.84 MAPT (0.50) MAPTHRH2PDK1PDK2PDK3
SCHEMBL3536137 0.84 MAPT (0.50) MAPTHRH2PDK1PDK2PDK3
SCHEMBL3538785 0.84 MAPT (0.50) MAPTHRH2PDK1PDK2PDK3
SCHEMBL31024632 0.84 DRD4 (0.41) DRD4SIGMAR1CHI3L1CHIT1CHIA

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 6 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

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 MAPT 1838/4885DRD4 1628/4885HRH2 300/4885
US-20070123532-A1 PIPERAZINE DERIVATIVES PKD2, SSTR5, IL5 MAPT 1101/4885DRD4 752/4885HRH2 208/4885

“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.