SCHEMBL1242233

SCHEMBL1242233

CN(CCc1ccc(Br)cc1)C1CC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.60
CHIT1 Q13231 6/20 0.55
CHIA Q9BZP6 6/20 0.55
SIGMAR1 Q99720 2/20 0.47
CHI3L1 P36222 1/20 0.46
CHI3L2 Q15782 1/20 0.46
GRIN2B Q13224 2/20 0.46
LSS P48449 2/20 0.45
HTR2A P28223 2/20 0.42
SLC18A3 Q16572 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
SCHEMBL16825796 0.89 CHIA (0.53) TAAR1CHIT1CHIASIGMAR1CHI3L1
SCHEMBL1967611 0.83 CHIA (0.54) TAAR1CHIT1CHIASIGMAR1CHI3L1
SCHEMBL1968987 0.83 CHIA (0.54) TAAR1CHIT1CHIASIGMAR1CHI3L1
SCHEMBL1969047 0.81 TAAR1 (0.60) TAAR1CHIT1CHIASIGMAR1CHI3L1
SCHEMBL27817745 0.81 CHIT1 (0.63) TAAR1CHIT1CHIASIGMAR1CHI3L1
SCHEMBL27817743 0.81 HTR2A (0.49) CHIT1CHIACHI3L1CHI3L2GRIN2B
SCHEMBL1967143 0.81 GRIN2B (0.63) TAAR1CHIASIGMAR1GRIN2BHTR2A
SCHEMBL1239203 0.81 HRH3 (0.59) TAAR1SIGMAR1GRIN2BLSS
SCHEMBL27837194 0.80 TAAR1 (0.65) TAAR1CHIT1CHIASIGMAR1GRIN2B
SCHEMBL1966648 0.79 TAAR1 (0.47) TAAR1CHIT1CHIACHI3L1CHI3L2

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 4340/4885CHIT1 259/4885CHIA 1829/4885

“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.