SCHEMBL1942011

SCHEMBL1942011

COc1c(F)cc(F)cc1CCl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 2/20 0.33
HTR2A P28223 2/20 0.33
CYP1A2 P05177 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
PTGS2 P35354 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
PDGFRB P09619 1/20 0.32
PDGFRA P16234 1/20 0.32
HTR7 P34969 1/20 0.31
ACHE P22303 1/20 0.31
TUBB1 Q9H4B7 2/20 0.31
DBH P09172 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL7348683 0.82 KMT2A (0.37) ALDH1A1MEN1KMT2AMAPTCYP1A2
SCHEMBL9886154 0.82 PTGS2 (0.42) ALDH1A1MEN1POLBHPGDKMT2A
SCHEMBL18606046 0.80 HTR2A (0.41) ALDH1A1MEN1POLBHPGDKMT2A
SCHEMBL3488489 0.80 ALDH1A1 (0.35) ALDH1A1MEN1POLBHPGDKMT2A
SCHEMBL1940273 0.80 MAPT (0.46) ALDH1A1MEN1POLBHPGDKMT2A
SCHEMBL443415 0.78 PDGFRB (0.39) ALDH1A1MAPTLMNAGAAPDGFRB
SCHEMBL24780295 0.77 HTR2A (0.34) ALDH1A1MEN1POLBHPGDKMT2A
SCHEMBL7494750 0.77 CYP3A4 (0.49) ALDH1A1MEN1POLBHPGDKMT2A
SCHEMBL22031396 0.77 ALDH1A1 (0.33) ALDH1A1MEN1POLBHPGDKMT2A
SCHEMBL17006092 0.77 CYP1A2 (0.39) ALDH1A1MEN1POLBHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1175400-B1 RENIN INHIBITORS HOFFMANN LA ROCHE (CH) 2011-06-15 EP disclosed
CN-1147471-C Renin inhibitors - 2004-04-28 CN disclosed
US-6673931-B2 (4-(4-(3-(2-METHOXY-BENZYLOXY)-PROPOXY)-PHENYL)-5-(4-METHOXY -NAPHTHALEN-2-YLMETHOXY)-PIPERIDIN-3-YL)-METHANOL FOR EXAMPLE; USE TREATING RESTENOSIS, GLAUCOMA, CARDIAC AND KIDNEY INSUFFICIENCY HOFFMAN-LA ROCHE INC. 2004-01-06 US disclosed
US-20020087002-A1 Naphthalenyl piperidines as renin inhibitors NOVARTIS AG (CH) 2002-07-04 US disclosed
CN-1349503-A renin inhibitors HOFFMANN LA ROCHE (CH) 2002-05-15 CN disclosed
US-6376672-B1 RESTENOSIS; VISION DEFECTS; CARDIOVASCULAR DISORDERS; KIDNEY DIEASES HOFFMANN-LA ROCHE INC. 2002-04-23 US disclosed
EP-1175400-A1 RENIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-30 EP disclosed
WO-2000064873-A1 RENIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2000-11-02 WO disclosed
US-5444083-A DOPAMINE AGONIST FOR TREATING OR PREVENTION OF HYPERTENSION OR HEART FAILURE EISAI CO., LTD. (JP) 1995-08-22 US disclosed
EP-0381235-B1 PYRROLIDINE COMPOUND AND PHARMACEUTICAL USE Eisai Co., Ltd. (JP) 1993-07-28 EP disclosed
CN-1044652-A Pyrrolidine compound and its pharmaceutical use EISAI CO LTD (JP) 1990-08-15 CN disclosed
EP-0381235-A2 Pyrrolidine compound and pharmaceutical use Eisai Co., Ltd. (JP) 1990-08-08 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 (1 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-20020087002-A1 Naphthalenyl piperidines as renin inhibitors REN, TNNI3, PTGIS ALDH1A1 1055/4885MEN1 3818/4885POLB 509/4885

“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.