SCHEMBL74752

SCHEMBL74752

c1ccc(ON2CCCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.41
HRH3 Q9Y5N1 3/20 0.41
TSHR P16473 2/20 0.41
HIF1A Q16665 1/20 0.41
KCNH2 Q12809 4/20 0.40
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 3/20 0.40
KCNA5 P22460 3/20 0.40
CYP2C19 P33261 3/20 0.40
KCNE1 P15382 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LTA4H P09960 2/20 0.39
BACE1 P56817 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL28643916 1.00 CYP2D6 (0.41) CYP2D6HRH3TSHRHIF1AKCNH2
SCHEMBL1456783 1.00 CYP2D6 (0.41) CYP2D6HRH3TSHRHIF1AKCNH2
Hydrochloric Acid SCHEMBL4633661 0.98 CYP2D6 (0.40) CYP2D6HRH3TSHRHIF1AKCNH2
SCHEMBL1827943 0.98 LTA4H (0.40) CYP2D6HRH3TSHRHIF1AKCNH2
SCHEMBL1829382 0.93 LTA4H (0.39) CYP2D6HRH3TSHRHIF1ASMN1; SMN2
Hydrochloric Acid SCHEMBL5223635 0.91 LTA4H (0.38) CYP2D6HRH3TSHRHIF1ASMN1; SMN2
SCHEMBL188044 0.87 ALDH1A1 (0.41) CYP2D6HRH3KCNH2CYP2C19SMN1; SMN2
SCHEMBL7171239 0.87 LTA4H (0.43) TSHRLTA4HKDM4EMEN1KMT2A
SCHEMBL1802067 0.82 LTA4H (0.58) HRH3LTA4H
SCHEMBL7723416 0.77 ALDH1A1 (0.35) CYP2D6HRH3CYP2C19SMN1; SMN2HPGD

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 257 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107441765-B Extraction composition, extraction system and application thereof 中国科学院上海有机化学研究所 2021-04-20 CN claimed
EP-1898909-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2016-10-19 EP claimed
EP-2841426-B1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-09-28 EP claimed
EP-1898910-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2016-09-28 EP claimed
EP-2697232-B1 6,7-DIHYDROIMIDAZO[2,1-B][1,3]OXAZINE BACTERICIDES OTSUKA PHARMA CO LTD (JP) 2016-05-18 EP claimed
EP-2841425-B1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-03-23 EP claimed
EP-2099758-B1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-03-09 EP claimed
EP-1912948-B1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2015-09-09 EP claimed
US-9051333-B2 6,7-dihydroimidazo [2,1-b] [1,3]oxazine bactericides OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-06-09 US claimed
EP-2697232-A1 6,7 - DIHYDROIMIDAZO [2, 1 - B][1, 3]OXAZINE BACTERICIDES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-02-19 EP claimed
EP-1753427-B1 USE OF SUBSTITUTED QUINOLINE DERIVATIVES FOR THE TREATMENT OF DRUG RESISTANT MYCOBACTERIAL DISEASES JANSSEN PHARMACEUTICA NV (BE) 2008-04-02 EP claimed
CN-101080402-A Hydantoin derivatives useful as metalloproteinase inhibitors ASTRAZENECA AB (SE) 2007-11-28 CN claimed
EP-1828166-A1 HYDANTOIN DERIVATIVES USEFUL AS METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2007-09-05 EP claimed
WO-2006064218-A1 HYDANTOIN DERIVATIVES USEFUL AS METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 WO claimed
WO-2006044762-A2 TETRAHYDRO-5H-PYRIMIDO[4,5-D]AZEPINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES ASSOCIATED WITH THE 5-HT2C RECEPTOR BAYER PHARMACEUTICALS CORPORATION (US) 2006-04-27 WO claimed
US-20050131021-A1 Phenoxy piperidines for treating diseases such as schizophrenia and depression MERCK PATENT GMBH (DE) 2005-06-16 US claimed
JP-2005514457-A 2005-05-19 JP claimed
EP-1465868-A1 PHENOXY PIPERIDINES FOR TREATING DISEASES SUCH AS SCHIZOPHRENIA AND DEPRESSION MERCK PATENT GmbH (DE) 2004-10-13 EP claimed
WO-2003059882-A1 PHENOXY PIPERIDINES FOR TREATING DISEASES SUCH AS SCHIZOPHRENIA AND DEPRESSION MERCK PATENT GMBH (DE) 2003-07-24 WO claimed
EP-0023706-B1 4-PHENOXY PIPERIDINES, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICAMENTS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1983-03-02 EP 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 (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-20050131021-A1 Phenoxy piperidines for treating diseases such as schizophrenia and depression CHRM1, CHRNA3, CHRM2 CYP2D6 3294/4885HRH3 123/4885TSHR 67/4885

“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.