SCHEMBL5366624

SCHEMBL5366624

COc1cc(C(=O)N2CCNC[C@H]2Cc2ccc(Cl)c(O)c2)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA4 P22748 4/20 0.42
CA9 Q16790 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TACR1 P25103 8/20 0.40
RHOC P08134 1/20 0.40
RHOA P61586 1/20 0.40
MITF O75030 1/20 0.38
MGLL Q99685 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
REN P00797 1/20 0.36
SCN9A Q15858 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
SCHEMBL5368233 0.91 L3MBTL1 (0.50) CA1CA2CA4CA9L3MBTL1
Hydrochloric Acid SCHEMBL7865433 0.89 RHOC (0.45) CA1CA2CA4CA9L3MBTL1
Hydrochloric Acid SCHEMBL5361012 0.89 RHOC (0.45) CA1CA2CA4CA9L3MBTL1
SCHEMBL5365341 0.89 CA1 (0.47) CA1CA2CA4CA9L3MBTL1
SCHEMBL5363655 0.86 CA1 (0.46) CA1CA2CA4CA9L3MBTL1
Hydrochloric Acid SCHEMBL7867867 0.86 CA1 (0.45) CA1CA2CA4CA9L3MBTL1
Hydrochloric Acid SCHEMBL5369749 0.86 CA1 (0.45) CA1CA2CA4CA9L3MBTL1
SCHEMBL6005611 0.85 CA1 (0.41) CA1CA2CA4CA9L3MBTL1
SCHEMBL5365712 0.85 CA1 (0.41) CA1CA2CA4CA9L3MBTL1
Hydrochloric Acid SCHEMBL5378848 0.85 L3MBTL1 (0.44) CA1CA2CA4CA9L3MBTL1

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 CA1 3146/4885CA2 1630/4885CA4 3843/4885
US-20070123532-A1 PIPERAZINE DERIVATIVES PKD2, SSTR5, IL5 CA1 2086/4885CA2 886/4885CA4 2772/4885

“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.