SCHEMBL1241206

SCHEMBL1241206

CN(C)CCc1ccc(Br)cc1N(C)C

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.50
SLC6A4 P31645 1/20 0.42
CHEK1 O14757 1/20 0.42
HTR2A P28223 1/20 0.41
CCR5 P51681 1/20 0.39
PYCR1 P32322 2/20 0.36
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL24365508 0.78 TAAR1 (0.56) TAAR1SLC6A4CHEK1HTR2ACCR5
SCHEMBL27337210 0.77 CCR5 (0.44) TAAR1SLC6A4CCR5PYCR1
Hydrochloric Acid SCHEMBL9871973 0.76 CCR5 (0.43) TAAR1CCR5PYCR1
SCHEMBL1239323 0.73 TAAR1 (0.44) TAAR1SLC6A4CHEK1HTR2A
SCHEMBL29433359 0.73 TAAR1 (0.44) TAAR1SLC6A4CHEK1HTR2A
SCHEMBL19980301 0.72 CCR5 (0.33) CCR5PYCR1
SCHEMBL1555487 0.71 HTR2A (0.63) TAAR1HTR2A
SCHEMBL9485990 0.69 CCR5 (0.42) TAAR1CCR5PYCR1
SCHEMBL8551337 0.68 CYP2A6 (0.59) TAAR1SLC6A4CHEK1HTR2A
SCHEMBL517473 0.68 SLC6A4 (0.83) SLC6A4HTR2AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7879808-B2 potent activity against resistant pneumococci; for treating domestic fowl MEIJI SEIKA KAISHA, LTD. (JP) 2011-02-01 US disclosed
US-20100210570-A1 LINCOMYCIN DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2010-08-19 US disclosed
EP-2151447-A1 LINCOMYCIN DERIVATIVES AND ANTIBACTERIAL AGENTS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Meiji Seika Kaisha Ltd. (JP) 2010-02-10 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-20100210570-A1 LINCOMYCIN DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT LAS1L, LCLAT1, LYPLA1 TAAR1 4340/4885SLC6A4 4668/4885CHEK1 3587/4885

“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.