SCHEMBL5375265

SCHEMBL5375265

COC[C@@H]1CN(CCN2CCN(C(=O)OC(C)(C)C)[C@H](Cc3ccc(F)c(OC)c3)C2)CCO1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 16/20 0.48
SIGMAR1 Q99720 1/20 0.41
DRD2 P14416 1/20 0.39
CCR3 P51677 1/20 0.38
NR1H4 Q96RI1 1/20 0.37
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 2/20 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
SCHEMBL5369965 0.86 DRD4 (0.45) DRD4CCR3NR1H2NR1H3
SCHEMBL5371090 0.85 DRD4 (0.38) DRD4DRD2NR1H2NR1H3
SCHEMBL5523472 0.84 DRD4 (0.46) DRD4
SCHEMBL5366678 0.84 NR1H2 (0.41) CCR3NR1H2NR1H3
SCHEMBL5366671 0.84 NR1H2 (0.41) CCR3NR1H2NR1H3
Hydrochloric Acid SCHEMBL5372321 0.84 DRD4 (0.45) DRD4
Hydrochloric Acid SCHEMBL5360642 0.84 DRD4 (0.45) DRD4
SCHEMBL5366498 0.82 NR1H2 (0.37) DRD4SIGMAR1NR1H2NR1H3
Hydrochloric Acid SCHEMBL5379215 0.82 DRD4 (0.43) DRD4
Hydrochloric Acid SCHEMBL5370119 0.81 DRD4 (0.45) DRD4SIGMAR1

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 DRD4 1628/4885SIGMAR1 803/4885DRD2 642/4885
US-20070123532-A1 PIPERAZINE DERIVATIVES PKD2, SSTR5, IL5 DRD4 752/4885SIGMAR1 1431/4885DRD2 258/4885

“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.