Sugi Predict

Sugi Predict / Compounds / SCHEMBL5369990

SCHEMBL5369990

SCHEMBL5369990

O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(CC#Cc2cccnc2)C[C@H]1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 14/20 0.45
▸ HIF1A Q16665 5/20 0.40
▸ EPAS1 Q99814 5/20 0.40
▸ USP2 O75604 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL5367115 0.95 TACR1 (0.43) TACR1CYP3A4
SCHEMBL5367703 0.93 TACR1 (0.40) TACR1HIF1AEPAS1CYP3A4
SCHEMBL6133015 0.91 TACR1 (0.42) TACR1
Hydrochloric Acid SCHEMBL6132982 0.91 TACR1 (0.41) TACR1
Hydrochloric Acid SCHEMBL7561520 0.91 TACR1 (0.40) TACR1
SCHEMBL5367592 0.90 TACR1 (0.40) TACR1
Hydrochloric Acid SCHEMBL5369148 0.89 TACR1 (0.40) TACR1
SCHEMBL5361673 0.85 TACR1 (0.39) TACR1TSHR
SCHEMBL8151193 0.85 MEN1 (0.39) TACR1HIF1AEPAS1
SCHEMBL6132897 0.84 TACR1 (0.61) TACR1

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 5 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
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 29/4885HIF1A 1362/4885EPAS1 903/4885
US-20070123532-A1 PIPERAZINE DERIVATIVES PKD2, SSTR5, IL5 TACR1 12/4885HIF1A 765/4885EPAS1 599/4885

“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.