SCHEMBL5152149

SCHEMBL5152149

COc1cc(C[C@H]2NC(=O)CN(Cc3ccccc3)C2=O)ccc1C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 5/20 0.68
HDAC6 Q9UBN7 5/20 0.56
HDAC1 Q13547 4/20 0.56
HDAC8 Q9BY41 4/20 0.56
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
MAPT P10636 2/20 0.41
TACR1 P25103 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 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
SCHEMBL5368628 0.89 OPRK1 (0.65) OPRK1HDAC6HDAC1HDAC8MEN1
SCHEMBL5365117 0.88 OPRK1 (0.64) OPRK1HDAC6HDAC1HDAC8HDAC4
SCHEMBL5361004 0.88 OPRK1 (0.64) OPRK1HDAC6HDAC1HDAC8HDAC4
SCHEMBL7824816 0.88 HDAC6 (0.61) OPRK1HDAC6HDAC1HDAC8HDAC4
SCHEMBL6132764 0.88 HDAC6 (0.61) OPRK1HDAC6HDAC1HDAC8HDAC4
SCHEMBL5370058 0.86 OPRK1 (0.61) OPRK1HDAC6HDAC1HDAC8MEN1
SCHEMBL2085123 0.84 OPRK1 (0.67) OPRK1HDAC6HDAC1HDAC8MEN1
SCHEMBL12520922 0.83 OPRK1 (0.66) OPRK1HDAC6HDAC1HDAC8MEN1
SCHEMBL4287726 0.83 OPRK1 (0.66) OPRK1HDAC6HDAC1HDAC8MEN1
SCHEMBL873256 0.83 OPRK1 (0.66) OPRK1HDAC6HDAC1HDAC8MEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7229992-B2 Process for the preparation of a piperazine derivative ASTELLAS PHARMA INC. (JP) 2007-06-12 US disclosed
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
US-20030153753-A1 Process for the preparation of a piperazine derivative ASTELLAS PHARMA INC. (JP) 2003-08-14 US disclosed
EP-1295882-A1 PROCESS FOR THE PREPARATION OF A PIPERAZINE DERIVATIVE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-26 EP 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 (3 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 OPRK1 130/4885HDAC6 955/4885HDAC1 1360/4885
US-20030153753-A1 Process for the preparation of a piperazine derivative TET2, ALKBH2, TOP2B OPRK1 947/4885HDAC6 135/4885HDAC1 211/4885
US-20070123532-A1 PIPERAZINE DERIVATIVES PKD2, SSTR5, IL5 OPRK1 337/4885HDAC6 423/4885HDAC1 1013/4885

“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.