SCHEMBL6645954

SCHEMBL6645954

Cc1ccc(N2[CH]CNCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.55
HTR1A P08908 5/20 0.37
HTR1D P28221 2/20 0.37
HTR1B P28222 2/20 0.37
HTR7 P34969 2/20 0.37
HTR2B P41595 2/20 0.37
HTR6 P50406 2/20 0.37
HTR5A P47898 1/20 0.37
ALOX5 P09917 1/20 0.37
ESRRB O95718 2/20 0.36
ESRRG P62508 2/20 0.36
CXCR4 P61073 1/20 0.36
BPTF Q12830 1/20 0.36
KCNH2 Q12809 1/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR3A P46098 6/20 0.34

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
SCHEMBL3483001 0.81 ADRB1 (0.55) ADRB1HTR1AHTR7HTR2BHTR6
SCHEMBL6094315 0.81 QDPR (0.39) ADRB1HTR5AESRRBESRRGMAPT
SCHEMBL4094720 0.81 HTR7 (0.39) ADRB1HTR1AHTR1DHTR7HTR2B
SCHEMBL2410875 0.80 ADRB1 (0.59) ADRB1HTR1AHTR1DHTR1BHTR7
SCHEMBL3482596 0.80 ADRB1 (0.59) ADRB1HTR1AHTR7MAPTLMNA
SCHEMBL739058 0.80 SIGMAR1 (0.52) ADRB1HTR1AHTR7HTR2BHTR6
SCHEMBL3537094 0.78 PLD1 (0.57) CYP1A2CYP3A4CYP2D6CYP2C9ADRB2
SCHEMBL6956749 0.78 KDM4E (0.43) KCNH2
SCHEMBL6094131 0.78 ALDH1A1 (0.47) MAPTL3MBTL1CYP3A4ALDH1A1
SCHEMBL18278509 0.74 ADRB1 (0.36) ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040249147-A1 Synthesis of key azole-antifungal intermediates RANBAXY LABORATORIES LIMITED (IN) 2004-12-09 US disclosed
EP-1432704-A1 SYNTHESIS OF KEY AZOLE-ANTIFUNGAL INTERMEDIATES RANBAXY LABORATORIES, LTD. (IN) 2004-06-30 EP disclosed
WO-2003027103-A1 SYNTHESIS OF KEY AZOLE-ANTIFUNGAL INTERMEDIATES RANBAXY LABORATORIES LIMITED (IN) 2003-04-03 WO disclosed
EP-0454501-B1 Benzylidenethiazolidine derivatives, their preparation and their use for the inhibition of lipid peroxides SANKYO CO (JP) 2001-09-05 EP disclosed
EP-0839812-A1 Preparation of benzylthiazolidine derivatives Sankyo Company Limited (JP) 1998-05-06 EP disclosed
US-5387596-A Treating arteriosclerosis SANKYO COMPANY, LIMITED (JP) 1995-02-07 US disclosed
EP-0454501-A2 Benzylidenethiazolidine derivatives, their preparation and their use for the inhibition of lipid peroxides Sankyo Company Limited (JP) 1991-10-30 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-20040249147-A1 Synthesis of key azole-antifungal intermediates ERG28, CYP11B1, CYP2E1 ADRB1 2635/4885HTR1A 4158/4885HTR1D 4548/4885

“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.