SCHEMBL48789

SCHEMBL48789

ClCCCOCCc1ccc2occc2c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 4/20 0.41
SLC6A4 P31645 1/20 0.38
MAOA P21397 3/20 0.38
MAOB P27338 3/20 0.38
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CYP2A6 P11509 2/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
DYRK1A Q13627 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
FDFT1 P37268 2/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL826348 0.83 HTR1B (0.46) HTR1BSLC6A4MAOAMAOBCYP2A6
SCHEMBL4526570 0.81 HTR1B (0.50) HTR1BSLC6A4CYP2A6DYRK1ACHRM2
SCHEMBL3818271 0.78 HTR1B (0.43) HTR1BCHRNB4CHRNA3CHRNA7CYP2A6
SCHEMBL12344285 0.77 CYP2A6 (0.45) HTR1BMAOAMAOBCHRNB4CHRNA3
SCHEMBL10508698 0.77 KCNA3 (0.43) HTR1BMAOAMAOBMRGPRX4
SCHEMBL10507927 0.76 HTR1B (0.50) HTR1BCHRNB4CHRNA3CHRNA7CYP2A6
SCHEMBL16140300 0.76 HTR1B (0.46) HTR1BSLC6A4MAOAMAOBCHRNB4
SCHEMBL3808206 0.76 SIGMAR1 (0.44) HTR1BCHRNB4CHRNA3CHRNA7SIGMAR1
SCHEMBL47973 0.75 CTNNB1 (0.43) HTR1BCYP2A6MRGPRX4
SCHEMBL28762517 0.74 CYP2C8 (0.50) HTR1BMAOAMAOBCHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43676-E1 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-09-18 US disclosed
US-RE43676-E1 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-09-18 US disclosed
US-8129535-B2 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-03-06 US disclosed
US-8129535-B2 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-03-06 US disclosed
US-20090111992-A1 ALKYL ETHER DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-04-30 US disclosed
US-20090111992-A1 ALKYL ETHER DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-04-30 US disclosed
US-7468443-B2 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2008-12-23 US disclosed
US-7468443-B2 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2008-12-23 US 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-20090111992-A1 ALKYL ETHER DERIVATIVES OR SALTS THEREOF AHNAK, NGF, PMP22 HTR1B 4381/4885SLC6A4 3250/4885MAOA 3683/4885

“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.