SCHEMBL13117183

SCHEMBL13117183

BrN1CCC(c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 9/20 0.55
GRIN2B Q13224 2/20 0.53
DRD2 P14416 1/20 0.53
SIGMAR1 Q99720 3/20 0.50
CYP2D6 P10635 2/20 0.50
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 1/20 0.49
APEX1 P27695 1/20 0.49
BLM P54132 1/20 0.49
CARM1 Q86X55 1/20 0.49
PRMT6 Q96LA8 1/20 0.49

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
SCHEMBL19101372 0.77 SLC18A3 (0.55) SLC18A3GRIN2BDRD2SIGMAR1CYP2D6
SCHEMBL11062207 0.77 SLC18A3 (0.55) SLC18A3GRIN2BDRD2SIGMAR1CYP2D6
SCHEMBL1477625 0.77 SLC18A3 (0.58) SLC18A3GRIN2BDRD2SIGMAR1CYP2D6
SCHEMBL96849 0.77 SLC18A3 (0.55) SLC18A3GRIN2BDRD2SIGMAR1CYP2D6
SCHEMBL7344869 0.77 SLC18A3 (0.55) SLC18A3GRIN2BDRD2SIGMAR1CYP2D6
SCHEMBL54932 0.77 DRD2 (0.63) SLC18A3GRIN2BDRD2SIGMAR1CYP2D6
SCHEMBL18123291 0.77 GRIN2B (0.56) SLC18A3GRIN2BDRD2SIGMAR1CYP2D6
SCHEMBL14252408 0.77 SLC18A3 (0.55) SLC18A3GRIN2BDRD2SIGMAR1CYP2D6
SCHEMBL41763 0.77
SCHEMBL190417 0.77 SLC18A3 (0.67) SLC18A3GRIN2BDRD2SIGMAR1CYP2D6

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-20100273765-A1 Rifamycin analogs and uses thereof ACTIVBIOTICS, INC. 2010-10-28 US disclosed
US-7271165-B2 Rifamycin analogs and uses thereof ACTIVBIOTICS, INC. (US) 2007-09-18 US disclosed
US-20070142392-A1 Uses of rifamycins ACTIVBIOTICS, INC. (US) 2007-06-21 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 (2 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-20070142392-A1 Uses of rifamycins TNF, TLR6, IL6 SLC18A3 4841/4885GRIN2B 4597/4885DRD2 4605/4885
US-20100273765-A1 Rifamycin analogs and uses thereof RIF1, HDAC5, AADAC SLC18A3 4689/4885GRIN2B 4758/4885DRD2 3799/4885

“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.