SCHEMBL6984223

SCHEMBL6984223

O=C1OCCN1c1ccccc1N1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 4/20 0.49
HTR6 P50406 9/20 0.47
HTR1A P08908 2/20 0.45
HTR2A P28223 2/20 0.45
HTR7 P34969 2/20 0.45
HTR5A P47898 2/20 0.45
HTR3E A5X5Y0 2/20 0.45
HTR3B O95264 2/20 0.45
HTR3A P46098 2/20 0.45
HTR3D Q70Z44 2/20 0.45
HTR3C Q8WXA8 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
NCF1 P14598 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
MTOR P42345 1/20 0.45

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
SCHEMBL7814732 0.85 KEAP1 (0.46) TSHRHSD17B10ALDH1A1
SCHEMBL7823337 0.85 KEAP1 (0.42) HTR6HTR1AHTR2AHTR7HTR1D
SCHEMBL1843566 0.84 KEAP1 (0.49) TSHRHSD17B10ALDH1A1HPGDPIM1
SCHEMBL3584707 0.83 ALOX15 (0.37) HTR6HTR1AHTR2AHTR7TSHR
SCHEMBL3579186 0.78 ALDH1A1 (0.39) HTR6HTR1AHTR2AHTR7HTR1D
SCHEMBL8259337 0.78 ADRB1 (0.49) ADRB1HTR6HTR3EHTR3BHTR3A
SCHEMBL15834279 0.77 ADRB1 (0.75) ADRB1HTR6HTR1AHTR2AHTR7
SCHEMBL8147688 0.76 ADRB1 (0.53) ADRB1HTR6HTR1AHTR2AHTR7
Piperazine SCHEMBL3193494 0.76 TNKS (0.51) ADRB1HTR6HTR3EHTR3BHTR3A
SCHEMBL138181 0.75 KEAP1 (0.44) HTR6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1804799-B1 Heterocyclic derivatives and their use as stearoyl-coa desaturase inhibitors XENON PHARMACEUTICALS INC (CA) 2013-08-21 EP disclosed
EP-0868424-B1 4-PYRIMIDINYL- OR 4-PYRAZINYL-PIPERAZINYL-PHENYL-OXAZOLIDINONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTI-BACTERIAL AGENTS UPJOHN CO (US) 2003-02-12 EP disclosed
US-6465456-B2 FOR THERAPY OF BACTERIAL DISEASES BRISTOL-MYERS SQUIBB COMPANY 2002-10-15 US disclosed
EP-0883611-B1 AZOLYL PIPERAZINYL PHENYL OXAZOLIDINONE ANTIMICROBIALS UPJOHN CO (US) 2002-07-31 EP disclosed
CN-1082952-C Pyrrolylpiperazinylphenyl oxazolidinone antimicrobials UPJOHN CO (US) 2002-04-17 CN disclosed
US-20020040142-A1 Novel isoxazolinone antibacterial agents BRISTOL-MYERS SQUIBB COMPANY 2002-04-04 US disclosed
WO-2002002555-A1 NOVEL ISOXAZOLINONE ANTIBACTERIAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-01-10 WO disclosed
CN-1206410-A Azolyl piperazinyl phenyl oxazolidinone antimicrobials UPJOHN CO (US) 1999-01-27 CN disclosed
EP-0883611-A1 AZOLYL PIPERAZINYL PHENYL OXAZOLIDINONE ANTIMICROBIALS PHARMACIA & UPJOHN COMPANY (US) 1998-12-16 EP disclosed
US-5736545-A ADMINISTERING TO TREAT BACTERIAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1998-04-07 US disclosed
WO-1997030981-A1 AZOLYL PIPERAZINYL PHENYL OXAZOLIDINONE ANTIMICROBIALS PHARMACIA & UPJOHN COMPANY (US) 1997-08-28 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 (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-20020040142-A1 Novel isoxazolinone antibacterial agents MRPL21, RPS4X, OXA1L ADRB1 726/4885HTR6 4292/4885HTR1A 2544/4885

“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.