SCHEMBL5369031

SCHEMBL5369031

COCCOCOc1c[c]ccc1C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.38
ELANE P08246 1/20 0.38
RARG P13631 3/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.30
RECQL P46063 1/20 0.30
CTNNB1 P35222 1/20 0.30

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
SCHEMBL8131750 0.88 F2 (0.34) F2ELANERARGRARARARB
SCHEMBL2937356 0.81 TSHR (0.37) ALDH1A1GLATDP1L3MBTL1KDM4E
SCHEMBL4990071 0.81 RARG (0.33) F2ELANERARGTDP1L3MBTL1
SCHEMBL3159666 0.77 CTNNB1 (0.39) F2ELANEALDH1A1KDM4ERECQL
SCHEMBL4447536 0.76 L3MBTL1 (0.40) ALDH1A1TDP1L3MBTL1KDM4ERECQL
SCHEMBL11566227 0.75 TSHR (0.35) ALDH1A1GLATDP1L3MBTL1KDM4E
SCHEMBL29180182 0.74 PTPN1 (0.37) ALDH1A1GLA
SCHEMBL8393419 0.73 F2 (0.43) F2ELANERARGALDH1A1RARA
SCHEMBL3163804 0.73 CTNNB1 (0.35) F2ELANEKDM4ERECQLCTNNB1
SCHEMBL3512103 0.73 L3MBTL1 (0.45) ALDH1A1TDP1L3MBTL1KDM4E

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
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 F2 3360/4885ELANE 1083/4885RARG 3692/4885
US-20070123532-A1 PIPERAZINE DERIVATIVES PKD2, SSTR5, IL5 F2 3173/4885ELANE 1849/4885RARG 4359/4885

“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.