Sugi Predict

Sugi Predict / Compounds / SCHEMBL5370277

SCHEMBL5370277

SCHEMBL5370277

COc1cc(C(=O)N2CCN(Cc3ccccc3)C[C@H]2Cc2ccc(C(F)(F)F)c(OC)c2)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA4 P22748 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ TACR1 P25103 8/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MTNR1B P49286 1/20 0.42
▸ MCHR1 Q99705 1/20 0.42
▸ ABCB1 P08183 1/20 0.42
▸ LMNA P02545 1/20 0.42

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
SCHEMBL5371390 0.95 TACR1 (0.50) CA1CA2CA4CA9TACR1
SCHEMBL5369244 0.93 CA1 (0.48) CA1CA2CA4CA9TACR1
SCHEMBL5365692 0.90 CA1 (0.54) CA1CA2CA4CA9TACR1
SCHEMBL5366308 0.90 CA1 (0.49) CA1CA2CA4CA9TACR1
SCHEMBL5361461 0.89 CA1 (0.52) CA1CA2CA4CA9TACR1
SCHEMBL5363554 0.89 CA1 (0.52) CA1CA2CA4CA9TACR1
SCHEMBL5378901 0.88 TACR1 (0.51) CA1CA2CA4CA9TACR1
SCHEMBL5360983 0.87 CA1 (0.52) CA1CA2CA4CA9TACR1
SCHEMBL5150744 0.87 TACR1 (0.50) CA1CA2CA4CA9TACR1
SCHEMBL5359295 0.87 TACR1 (0.50) CA1CA2CA4CA9TACR1

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 4 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

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.