SCHEMBL3465870

SCHEMBL3465870

CC[C@H](N)c1ccc(Br)s1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.34
WRN Q14191 1/20 0.33
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
GSK3B P49841 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
NTSR1 P30989 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL23695520 1.00 SLC6A4 (0.34) SLC6A4WRNCYP3A4CYP2D6MAPT
SCHEMBL15156804 1.00 SLC6A4 (0.34) SLC6A4WRNCYP3A4CYP2D6MAPT
SCHEMBL14295827 0.77 CYP3A4 (0.35) WRNCYP3A4CYP2D6MAPTCYP2C9
SCHEMBL20721133 0.77 ALOX5 (0.41) SLC6A4MAPTCYP2C9CYP2C19ALDH1A1
SCHEMBL12261647 0.77 ALOX5 (0.41) SLC6A4MAPTCYP2C9CYP2C19ALDH1A1
SCHEMBL5047579 0.76
SCHEMBL24803031 0.76
SCHEMBL25235487 0.76
SCHEMBL12073836 0.75 LMNA (0.39) WRNCYP3A4CYP2D6MAPTCYP2C9
SCHEMBL12261844 0.75 GABBR2 (0.42) SLC6A4WRNCYP3A4CYP2D6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230135729-A1 COMPOUND WITH ANTI-SPORE ACTIVITY AND PHARMACEUTICAL COMPOSITION THEREOF CHENGDU BIOBEL COMPANY LIMITED (CN) 2023-05-04 US disclosed
US-20230135729-A1 COMPOUND WITH ANTI-SPORE ACTIVITY AND PHARMACEUTICAL COMPOSITION THEREOF CHENGDU BIOBEL COMPANY LIMITED (CN) 2023-05-04 US disclosed
US-20230135729-A1 COMPOUND WITH ANTI-SPORE ACTIVITY AND PHARMACEUTICAL COMPOSITION THEREOF CHENGDU BIOBEL COMPANY LIMITED (CN) 2023-05-04 US disclosed
WO-2021147123-A1 COMPOUND HAVING ANTISPORULANT ACTIVITY AND PHARMACEUTICAL COMPOSITION THEREOF 成都贝诺科成生物科技有限公司 2021-07-29 WO disclosed
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 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 (3 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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 SLC6A4 4396/4885WRN 3308/4885CYP3A4 2075/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 SLC6A4 4328/4885WRN 2669/4885CYP3A4 1429/4885
US-20230135729-A1 COMPOUND WITH ANTI-SPORE ACTIVITY AND PHARMACEUTICAL COMPOSITION THEREOF CASP9, CLPP, CASP1 SLC6A4 3070/4885WRN 4628/4885CYP3A4 2416/4885

“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.