SCHEMBL518267

SCHEMBL518267

CN(C)CCc1c(Br)n(Br)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 14/20 0.48
▸ TAAR1 Q96RJ0 1/20 0.46
▸ HTR1A P08908 2/20 0.42
▸ HTR7 P34969 2/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ HTR1D P28221 1/20 0.42
▸ HTR1B P28222 1/20 0.42
▸ HTR1F P30939 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ HTR2A P28223 2/20 0.41
▸ HTR2C P28335 2/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ CHRM2 P08172 1/20 0.40
▸ CHRNA7 P36544 1/20 0.40

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
SCHEMBL3378681 0.78 IL1R1 (0.47) HTR6TAAR1HTR7HTR1DHTR1B
Hydrochloric Acid SCHEMBL9393123 0.77 ALDH1A1 (0.49) HTR6TAAR1HTR7HTR1DHTR1B
SCHEMBL2758314 0.69 HTR6 (0.45) HTR6HTR1AHTR7DRD2HTR1D
SCHEMBL14560451 0.68 HTR6 (0.47) HTR6HTR1AHTR7DRD2HTR1D
SCHEMBL3804671 0.67 HTR6 (0.46) HTR6HTR7
SCHEMBL12850609 0.67 HTR2A (0.65) HTR6HTR1AHTR7DRD2HTR1D
SCHEMBL5095637 0.66 HTR6 (0.57) HTR6HTR1AHTR7DRD2HTR1D
SCHEMBL17673147 0.66 KDM4E (0.49) HTR2A
SCHEMBL25294011 0.66 HTR6 (0.69) HTR6TAAR1HTR1AHTR7DRD2
SCHEMBL20307301 0.66 HTR6 (0.81) HTR6HTR1AHTR7DRD2HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120029010-A1 METHOD TO USE COMPOSITIONS HAVING ANTIDEPRESSANT ANXIOLYTIC AND OTHER NEUROLOGICAL ACTIVITY AND COMPOSITIONS OF MATTER HAMANN MARK T (US) 2012-02-02 — — US claimed
US-20090093513-A1 Method to Use Compositions Having Antidepressant Anxiolytic and Other Neurological Activity and Compositions of Matter HAMANN, MARK T. 2009-04-09 — — US 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 (2 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-20120029010-A1 METHOD TO USE COMPOSITIONS HAVING ANTIDEPRESSANT ANXIOLYTIC AND OTHER NEUROLOGICAL ACTIVITY AND COMPOSITIONS OF MATTER ACHE, CHAT, HTR3D HTR6 101/4885TAAR1 1531/4885HTR1A 16/4885
US-20090093513-A1 Method to Use Compositions Having Antidepressant Anxiolytic and Other Neurological Activity and Compositions of Matter ACHE, CHAT, HTR3D HTR6 101/4885TAAR1 1531/4885HTR1A 16/4885

“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.

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