SCHEMBL5369965

SCHEMBL5369965

COC[C@@H]1CN(CCN2CCN(C(=O)OC(C)(C)C)[C@H](Cc3ccc(C(F)(F)F)cc3)C2)CCO1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.45
NR1H2 P55055 3/20 0.38
NR1H3 Q13133 3/20 0.38
MDM2 Q00987 1/20 0.37
PARP1 P09874 1/20 0.36
CCR3 P51677 1/20 0.36
ABHD6 Q9BV23 1/20 0.36
DAGLA Q9Y4D2 1/20 0.36
GRM2 Q14416 1/20 0.35
MAPT P10636 1/20 0.35
RORC P51449 1/20 0.35
EPHX2 P34913 2/20 0.35
DPP4 P27487 1/20 0.34
MCHR1 Q99705 1/20 0.34
CETP P11597 1/20 0.34

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
SCHEMBL5375265 0.86 DRD4 (0.48) DRD4NR1H2NR1H3CCR3
SCHEMBL5517252 0.86 TACR1 (0.46) DRD4
Hydrochloric Acid SCHEMBL5375300 0.85 TACR1 (0.46) DRD4
Hydrochloric Acid SCHEMBL5371428 0.85 TACR1 (0.46) DRD4
SCHEMBL5371090 0.84 DRD4 (0.38) DRD4NR1H2NR1H3PARP1GRM2
Hydrochloric Acid SCHEMBL5379159 0.82 TACR1 (0.42) DRD4
Hydrochloric Acid SCHEMBL5369334 0.82 TACR1 (0.42) DRD4
SCHEMBL5363572 0.82 NR1H2 (0.43) NR1H2NR1H3PARP1CCR3ABHD6
SCHEMBL5363568 0.82 NR1H2 (0.43) NR1H2NR1H3PARP1CCR3ABHD6
Hydrochloric Acid SCHEMBL5372420 0.82 DRD4 (0.44) DRD4

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 1628/4885NR1H2 2405/4885NR1H3 3266/4885
US-20070123532-A1 PIPERAZINE DERIVATIVES PKD2, SSTR5, IL5 DRD4 752/4885NR1H2 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.