SCHEMBL5361086

SCHEMBL5361086

CC(C)(CO)NC(=O)c1cc(I)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.44
CNR2 P34972 7/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
GAA P10253 1/20 0.39
CES2 O00748 1/20 0.39
TACR1 P25103 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MAP4K4 O95819 1/20 0.36
DDR1 Q08345 2/20 0.36
KCNH2 Q12809 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
NOTUM Q6P988 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL16143070 0.83 NOTUM (0.56) CNR1CNR2NPC1RAB9AATM
SCHEMBL9119278 0.79 CNR1 (0.55) CNR1CNR2NPC1RAB9AATM
SCHEMBL18496587 0.75 HTT (0.55) NPC1RAB9AATMGAAALDH1A1
SCHEMBL18285279 0.73 CNR2 (0.45) CNR1CNR2NPC1RAB9AATM
SCHEMBL29727678 0.73 CNR2 (0.45) CNR1CNR2NPC1RAB9AATM
SCHEMBL26473968 0.73 CES2 (0.50) GAACES2TRPV1NOTUM
SCHEMBL20877084 0.73 CES2 (0.55) GAACES2TACR1HDAC3HDAC8
SCHEMBL16261257 0.72 ADCY8 (0.43) GAACES2TACR1DDR1NOTUM
SCHEMBL3606497 0.72 NOTUM (0.66) CNR1GAACES2NOTUMALDH1A1
SCHEMBL18077883 0.72 HDAC3 (0.42) NPC1RAB9AHDAC3HDAC8HDAC6

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 CNR1 388/4885CNR2 344/4885NPC1 1055/4885
US-20070123532-A1 PIPERAZINE DERIVATIVES PKD2, SSTR5, IL5 CNR1 636/4885CNR2 404/4885NPC1 1093/4885

“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.