SCHEMBL114509

SCHEMBL114509

COCCCCCCCC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
HRH3 Q9Y5N1 1/20 0.34
ARG1 P05089 1/20 0.32
ARG2 P78540 1/20 0.32
HTR1A P08908 2/20 0.30
HTR1B P28222 2/20 0.30
HTR1D P28221 1/20 0.30

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
SCHEMBL3150458 1.00 ALDH1A1 (0.41) ALDH1A1HRH3ARG1ARG2HTR1A
SCHEMBL23740290 1.00 ALDH1A1 (0.41) ALDH1A1HRH3ARG1ARG2HTR1A
SCHEMBL21742288 1.00 ALDH1A1 (0.41) ALDH1A1HRH3ARG1ARG2HTR1A
SCHEMBL15183780 1.00 ALDH1A1 (0.41) ALDH1A1HRH3ARG1ARG2HTR1A
SCHEMBL10226529 0.97 ALDH1A1 (0.37) ALDH1A1HRH3ARG1ARG2
SCHEMBL4567658 0.88
SCHEMBL24808630 0.82 KDM4E (0.40) ALDH1A1
SCHEMBL29926359 0.80 HRH3 (0.47) HRH3HTR1AHTR1BHTR1D
SCHEMBL30495486 0.80 HRH3 (0.35) HRH3HTR1AHTR1BHTR1D
SCHEMBL4451768 0.80 HRH3 (0.47) HRH3HTR1AHTR1BHTR1D

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-2646419-B1 METHOD FOR PREPARING ROSUVASTATIN SALTS EGIS GYÓGYSZERGYÁR NYILVÁNOSAN MÛKÖDÕ RÉSZVÉNYTÁRSASÁG (HU) 2017-10-18 EP disclosed
US-9040696-B2 Method for preparing rosuvastatin salts EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2015-05-26 US disclosed
EP-2593427-B1 SULFONAMIDE DERIVATIVES AS NAV1.7 INHIBITORS FOR THE TREATMENT OF PAIN PFIZER LTD (GB) 2014-12-24 EP disclosed
US-20130281694-A1 METHOD FOR PREPARING ROSUVASTATIN SALTS EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENY-TARSASAG (HU) 2013-10-24 US disclosed
EP-2646419-A2 METHOD FOR PREPARING ROSUVASTATIN SALTS Egis Gyógyszergyár Nyilvánosan Müködö Részvény-Társaság (HU) 2013-10-09 EP disclosed
EP-2593427-A1 SULFONAMIDE DERIVATIVES AS NAV1.7 INHIBITORS FOR THE TREATMENT OF PAIN Pfizer Limited (GB) 2013-05-22 EP disclosed
WO-2012073054-A2 METHOD FOR PREPARING ROSUVASTATIN SALTS EGIS GYÓGYSZERGYÁR NYILVÁNOSAN MÚKÖDÓ RÉSZVÉNY-TÁRSASÁG (HU) 2012-06-07 WO disclosed
EP-2424860-A1 HETEROARYLTHIOMETHYL PYRIDINE DERIVATIVE MSD K.K. (JP) 2012-03-07 EP disclosed
US-20120028970-A1 HETEROARYLTHIOMETHYL PYRIDINE DERIVATIVE MSD K.K. (JP) 2012-02-02 US disclosed
WO-2012007883-A1 SULFONAMIDE DERIVATIVES AS NAV1.7 INHIBITORS FOR THE TREATMENT OF PAIN PFIZER LIMITED (GB) 2012-01-19 WO disclosed
US-20120010207-A1 Chemical Compounds PFIZER LIMITED (GB) 2012-01-12 US disclosed
US-20110015181-A1 ALKYLAMINOPYRIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-01-20 US disclosed
EP-2264026-A1 ALKYLAMINOPYRIDINE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-12-22 EP disclosed
WO-2010126163-A1 HETEROARYLTHIOMETHYL PYRIDINE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-11-04 WO disclosed
EP-1749014-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2010-07-07 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 (4 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-20120010207-A1 Chemical Compounds SCN1A, SCN1B, SCN7A ALDH1A1 643/4885HRH3 1001/4885ARG1 3788/4885
US-20120028970-A1 HETEROARYLTHIOMETHYL PYRIDINE DERIVATIVE AR, NR5A1, ARL1 ALDH1A1 219/4885HRH3 1523/4885ARG1 1802/4885
US-20130281694-A1 METHOD FOR PREPARING ROSUVASTATIN SALTS HMGCR, SIRT5, CYP3A5 ALDH1A1 1094/4885HRH3 3039/4885ARG1 4651/4885
US-20110015181-A1 ALKYLAMINOPYRIDINE DERIVATIVE NPY4R, NPY1R, NPY2R ALDH1A1 4371/4885HRH3 119/4885ARG1 27/4885

“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.