Sugi Predict

Sugi Predict / Compounds / SCHEMBL5368577

SCHEMBL5368577

SCHEMBL5368577

CC1CN(CCN2CCN(C(=O)c3cc(Cl)cc(C(F)(F)F)c3)[C@H](Cc3ccc(Cl)c(O[Si](C)(C)C(C)(C)C)c3)C2)CC(C)O1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 16/20 0.39
▸ HSD11B1 P28845 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ RHOC P08134 1/20 0.34
▸ RHOA P61586 1/20 0.34

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
SCHEMBL5368575 1.00 TACR1 (0.39) TACR1HSD11B1ALDH1A1SMN1; SMN2RHOC
SCHEMBL7864835 1.00 TACR1 (0.39) TACR1HSD11B1ALDH1A1SMN1; SMN2RHOC
SCHEMBL5369047 0.88 CA1 (0.44) TACR1
Hydrochloric Acid SCHEMBL5363980 0.86 TACR1 (0.40) TACR1RHOCRHOA
Hydrochloric Acid SCHEMBL5363984 0.86 TACR1 (0.40) TACR1RHOCRHOA
SCHEMBL6003132 0.85 TACR1 (0.32) TACR1HSD11B1ALDH1A1SMN1; SMN2
SCHEMBL6003130 0.85 TACR1 (0.32) TACR1HSD11B1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL5359425 0.85 RHOC (0.43) TACR1RHOCRHOA
Hydrochloric Acid SCHEMBL7857169 0.85 RHOC (0.43) TACR1RHOCRHOA
Hydrochloric Acid SCHEMBL5359427 0.85 RHOC (0.43) TACR1RHOCRHOA

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 TACR1 29/4885HSD11B1 2230/4885ALDH1A1 2048/4885
US-20070123532-A1 PIPERAZINE DERIVATIVES PKD2, SSTR5, IL5 TACR1 12/4885HSD11B1 2439/4885ALDH1A1 1846/4885

“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.