SCHEMBL5148707

SCHEMBL5148707

COC(=O)[C@H](N)Cc1ccc(C)c(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
LDHA P00338 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
FOS P01100 1/20 0.42
TTR P02766 1/20 0.42
JUN P05412 1/20 0.42
NR3C1 P04150 1/20 0.42
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
SLC7A5 Q01650 2/20 0.42
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
MMP1 P03956 1/20 0.40
CYP3A4 P08684 1/20 0.40
OPRK1 P41145 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL30958039 1.00 ALDH1A1 (0.61) ALDH1A1LDHATAS1R3TAS1R1FOS
Hydrochloric Acid SCHEMBL5148704 0.99 ALDH1A1 (0.63) ALDH1A1LDHATAS1R3TAS1R1FOS
SCHEMBL15723427 0.88 ALDH1A1 (0.64) ALDH1A1LDHATAS1R3TAS1R1SLC7A5
SCHEMBL3291118 0.88 ALDH1A1 (0.67) ALDH1A1LDHA
SCHEMBL6441639 0.88 ALDH1A1 (0.67) ALDH1A1LDHA
Hydrochloric Acid SCHEMBL3268062 0.87 ALDH1A1 (0.70) ALDH1A1LDHA
Hydrochloric Acid SCHEMBL3291115 0.87 ALDH1A1 (0.70) ALDH1A1LDHA
SCHEMBL13957553 0.87 LDHA (0.56) ALDH1A1LDHASLC7A5
SCHEMBL16590765 0.86 ALDH1A1 (0.54) ALDH1A1TAS1R3TAS1R1SLC7A5
Hydrochloric Acid SCHEMBL5148631 0.85 LDHA (0.55) ALDH1A1LDHASLC7A5

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024112721-A1 ALLOSTERIC MODULATORS OF THE μ-OPIOID RECEPTOR AND CANNABINOID RECEPTOR 1 CZ BIOHUB SF, LLC (US) 2024-05-30 WO disclosed
US-7229992-B2 Process for the preparation of a piperazine derivative ASTELLAS PHARMA INC. (JP) 2007-06-12 US disclosed
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
US-20030153753-A1 Process for the preparation of a piperazine derivative ASTELLAS PHARMA INC. (JP) 2003-08-14 US disclosed
EP-1295882-A1 PROCESS FOR THE PREPARATION OF A PIPERAZINE DERIVATIVE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-26 EP 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 (3 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 ALDH1A1 2048/4885LDHA 4796/4885TAS1R3 1109/4885
US-20030153753-A1 Process for the preparation of a piperazine derivative TET2, ALKBH2, TOP2B ALDH1A1 1345/4885LDHA 3580/4885TAS1R3 4743/4885
US-20070123532-A1 PIPERAZINE DERIVATIVES PKD2, SSTR5, IL5 ALDH1A1 1846/4885LDHA 4598/4885TAS1R3 2686/4885

“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.