SCHEMBL4941583

SCHEMBL4941583

CCOC(=O)N1CCC(=C2c3ccc(Br)cc3CCc3cccnc32)CC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A15 Q9H2J7 11/20 0.79
HRH1 P35367 7/20 0.79
MEN1 O00255 1/20 0.79
NPC1 O15118 1/20 0.79
CACNA1F O60840 1/20 0.79
NR1I2 O75469 1/20 0.79
GMNN O75496 1/20 0.79
USP2 O75604 1/20 0.79
ABCB11 O95342 1/20 0.79
LMNA P02545 1/20 0.79
TP53 P04637 1/20 0.79
CHRM2 P08172 1/20 0.79
ABCB1 P08183 1/20 0.79
CYP3A4 P08684 1/20 0.79
ADORA3 P0DMS8 1/20 0.79
CYP2C8 P10632 1/20 0.79
CYP2D6 P10635 1/20 0.79
MAPT P10636 1/20 0.79
CYP2C9 P11712 1/20 0.79
ADRB3 P13945 1/20 0.79

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
SCHEMBL5265654 0.90 SLC6A15 (0.82) SLC6A15HRH1MEN1NPC1CACNA1F
Loratadine SCHEMBL29380223 0.88 SLC6A15 (1.00) SLC6A15HRH1MEN1NPC1CACNA1F
Loratadine SCHEMBL29441811 0.88 SLC6A15 (1.00) SLC6A15HRH1MEN1NPC1CACNA1F
Loratadine SCHEMBL4596 0.88 SLC6A15 (1.00) SLC6A15HRH1MEN1NPC1CACNA1F
Loratadine SCHEMBL3862958 0.88 SLC6A15 (1.00) SLC6A15HRH1MEN1NPC1CACNA1F
SCHEMBL9830156 0.88 SLC6A15 (0.79) SLC6A15HRH1MEN1NPC1CACNA1F
SCHEMBL9075423 0.88 HRH1 (1.00) SLC6A15HRH1MEN1NPC1CACNA1F
SCHEMBL30055185 0.88 HRH1 (1.00) SLC6A15HRH1MEN1NPC1CACNA1F
Loratadine SCHEMBL21529220 0.87 SLC6A15 (0.98) SLC6A15HRH1MEN1NPC1CACNA1F
Loratadine SCHEMBL2166756 0.87 SLC6A15 (0.98) SLC6A15HRH1MEN1NPC1CACNA1F

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-20080194823-A1 PREPARATION OF LORATADINE FORM I DR. REDDY'S LABORATORIES LIMITED (IN) 2008-08-14 US disclosed
US-20080194823-A1 PREPARATION OF LORATADINE FORM I DR. REDDY'S LABORATORIES LIMITED (IN) 2008-08-14 US disclosed
US-20080194823-A1 PREPARATION OF LORATADINE FORM I DR. REDDY'S LABORATORIES LIMITED (IN) 2008-08-14 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-20080194823-A1 PREPARATION OF LORATADINE FORM I HTR1B, HTR1D, CYP1A1 SLC6A15 2441/4885HRH1 10/4885MEN1 1853/4885

“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.