SCHEMBL5801397

SCHEMBL5801397

COc1ccccc1C1OCCCO1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.46
HTR2A P28223 1/20 0.46
HTR2B P41595 1/20 0.46
DRD2 P14416 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
USP2 O75604 1/20 0.41
CYP19A1 P11511 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL10761583 0.92 HTR2C (0.49) HTR2CHTR2AHTR2BDRD2CA12
SCHEMBL18555663 0.84 KDM4E (0.41) MEN1KMT2ACYP19A1
SCHEMBL9826178 0.81 HTR2C (0.46) HTR2CHTR2AHTR2BDRD2CA12
SCHEMBL13381007 0.80 HTR2C (0.45) HTR2CHTR2AHTR2BDRD2CA12
SCHEMBL11629567 0.79 HTR2C (0.44) HTR2CHTR2AHTR2BDRD2CA12
SCHEMBL30949067 0.79 HTR2C (0.47) HTR2CHTR2AHTR2BDRD2MEN1
SCHEMBL28230707 0.77 MEN1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL13381250 0.76 DRD2 (0.46) HTR2CHTR2AHTR2BDRD2MEN1
SCHEMBL3686228 0.76 KMT2A (0.45) MEN1KMT2A
SCHEMBL13381276 0.76 CYP19A1 (0.43) HTR2CHTR2AHTR2BDRD2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663974-A1 2-PYRIDONE DERIVATIVES AS NETROPHIL ELASTASE INHIBITORS AND THEIR USE AstraZeneca AB (SE) 2006-06-07 EP disclosed
EP-1615890-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY (US) 2006-01-18 EP disclosed
WO-2004089903-A9 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER LAMBERT CO (US) 2005-10-27 WO disclosed
WO-2005026124-A1 2-PYRIDONE DERIVATIVES AS NETROPHIL ELASTASE INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2005-03-24 WO disclosed
US-20040214832-A1 Piperazine derivative renin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-28 US disclosed
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO disclosed
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO disclosed
WO-2004089903-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO disclosed
US-20040204455-A1 Piperidine derivative rennin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-14 US disclosed
EP-0304138-B1 PROCESS FOR MAKING 1,3-DIOXANE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-04 EP disclosed
US-5063197-A Aromatic compound MITSUBISHI PAPER MILLS LIMITED (JP) 1991-11-05 US disclosed
EP-0304139-B1 PROCESS FOR MAKING 5-HYDROXY-3-HYDROXYMETHYL-2-PHENYLFURAN DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-09-11 EP disclosed
EP-0201351-B1 1,3-DIOXANE ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-11-07 EP disclosed
EP-0304139-A1 Process for making 5-hydroxy-3-hydroxymethyl-2-phenylfuran derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-02-22 EP disclosed
EP-0304138-A1 Process for making 1,3-dioxane derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-02-22 EP 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-20040204455-A1 Piperidine derivative rennin inhibitors REN, ACE, HPN HTR2C 2977/4885HTR2A 2480/4885HTR2B 1877/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 HTR2C 1965/4885HTR2A 1537/4885HTR2B 2395/4885

“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.