SCHEMBL5370784

SCHEMBL5370784

COCCOCOc1cc(C=O)ccc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.49
ALDH1A1 P00352 12/20 0.46
MAPT P10636 8/20 0.44
HPGD P15428 7/20 0.44
TDP1 Q9NUW8 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 3/20 0.44
TSHR P16473 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41

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
SCHEMBL7867510 0.90 FDPS (0.58) FDPSALDH1A1MAPTHPGDTDP1
SCHEMBL9671488 0.88 FDPS (0.49) FDPSALDH1A1MAPTHPGDTDP1
SCHEMBL4990035 0.88 FDPS (0.59) FDPSALDH1A1MAPTHPGDTDP1
SCHEMBL4996441 0.85 FDPS (0.69) FDPSALDH1A1MAPTHPGDTDP1
SCHEMBL4996828 0.83 ALDH1A1 (0.56) FDPSALDH1A1MAPTHPGDTDP1
SCHEMBL2552700 0.81 FDPS (0.48) FDPSALDH1A1MAPTHPGDTDP1
SCHEMBL9673508 0.81 ALDH1A1 (0.54) FDPSALDH1A1MAPTHPGDTDP1
SCHEMBL7951806 0.80 FDPS (0.41) FDPSALDH1A1MAPTHPGDTDP1
SCHEMBL1524953 0.78 ALDH1A1 (0.52) FDPSALDH1A1MAPTHPGDMEN1
SCHEMBL16360861 0.77 FDPS (0.71) FDPSALDH1A1MAPTHPGDTDP1

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 FDPS 4501/4885ALDH1A1 2048/4885MAPT 1838/4885
US-20070123532-A1 PIPERAZINE DERIVATIVES PKD2, SSTR5, IL5 FDPS 3283/4885ALDH1A1 1846/4885MAPT 1101/4885

“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.