SCHEMBL5518798

SCHEMBL5518798

Cc1ccc(CC2CN(CCCc3cccnc3)CCN2C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1O

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 0.42
HSD11B1 P28845 1/20 0.40
FKBP1A P62942 1/20 0.39

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
Hydrochloric Acid SCHEMBL5372626 0.99 TACR1 (0.41) TACR1HSD11B1FKBP1A
SCHEMBL7867749 0.95 HSD11B1 (0.44) TACR1HSD11B1
Hydrochloric Acid SCHEMBL5360883 0.95 HSD11B1 (0.43) TACR1HSD11B1
Hydrochloric Acid SCHEMBL7556699 0.93 TACR1 (0.42) TACR1HSD11B1
Hydrochloric Acid SCHEMBL7864846 0.91 TACR1 (0.42) TACR1HSD11B1
Hydrochloric Acid SCHEMBL5359811 0.91 TACR1 (0.42) TACR1HSD11B1
Hydrochloric Acid SCHEMBL5361172 0.90 TACR1 (0.41) TACR1HSD11B1
Hydrochloric Acid SCHEMBL5367674 0.90 HIF1A (0.46) TACR1
Hydrochloric Acid SCHEMBL5372514 0.89 TACR1 (0.47) TACR1HSD11B1
Hydrochloric Acid SCHEMBL5368492 0.88 TACR1 (0.43) TACR1HSD11B1FKBP1A

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 claimed
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 claimed
EP-1140924-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP claimed
WO-2000035915-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-06-22 WO claimed

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 2230/4885FKBP1A 3438/4885
US-20070123532-A1 PIPERAZINE DERIVATIVES PKD2, SSTR5, IL5 TACR1 12/4885HSD11B1 2439/4885FKBP1A 3203/4885

“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.