SCHEMBL1239203

SCHEMBL1239203

CN(Cc1ccc(Br)cc1)C1CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.59
▸ HRH4 Q9H3N8 1/20 0.59
▸ PYCR1 P32322 6/20 0.46
▸ MAOB P27338 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44
▸ GRIN2B Q13224 1/20 0.43
▸ NOS3 P29474 1/20 0.42
▸ NOS1 P29475 1/20 0.42
▸ NOS2 P35228 1/20 0.42
▸ ABCB11 O95342 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ AR P10275 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ PDE4A P27815 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41

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
SCHEMBL17286021 0.86 NOS2 (0.59) HRH3HRH4KDM4EALDH1A1NOS3
SCHEMBL22878360 0.86 HRH3 (0.50) HRH3HRH4PYCR1MAOBKDM4E
SCHEMBL17284455 0.85 HRH3 (0.49) HRH3HRH4PYCR1MAOBKDM4E
SCHEMBL17282142 0.82 HRH3 (0.46) HRH3HRH4PYCR1MAOBKDM4E
SCHEMBL1242233 0.81 TAAR1 (0.60) TAAR1GRIN2BSIGMAR1LSS
SCHEMBL13452623 0.80 HRH3 (0.59) HRH3HRH4PYCR1TAAR1GRIN2B
SCHEMBL29101926 0.80 LTA4H (0.47) HRH3HRH4KDM4EALDH1A1NOS3
SCHEMBL3375289 0.79 GRIN2B (0.61) HRH3HRH4KDM4EALDH1A1GRIN2B
SCHEMBL12891077 0.77 HRH3 (0.56) HRH3HRH4GRIN2BCYP2D6SLC6A2
SCHEMBL4517897 0.77 HRH3 (0.47) HRH3HRH4KDM4EALDH1A1GRIN2B

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 HRH3 2518/4885HRH4 2138/4885PYCR1 258/4885

“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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