SCHEMBL20032467

SCHEMBL20032467

CCC(CC)c1cc(Br)ccc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.37
TLR9 Q9NR96 1/20 0.37
ALOX15 P16050 1/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 1/20 0.33
PYCR1 P32322 2/20 0.33
PTPRC P08575 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
ALDH1A1 P00352 2/20 0.32
S100A4 P26447 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
AHR P35869 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
SCHEMBL21164384 0.88 HSP90AA1 (0.32) HSP90AA1TLR9MAPTTDP1LMNA
SCHEMBL18713788 0.81 TSHR (0.41) HSP90AA1TLR9ALOX15MAPTRAB9A
SCHEMBL21164382 0.79 KCNH2 (0.40) ALOX15MAPTPYCR1TDP1ALDH1A1
SCHEMBL11081598 0.78 HSP90AA1 (0.37) HSP90AA1TLR9ALOX15MAPTPTPRC
SCHEMBL12263566 0.75 GABRA1 (0.50) HSP90AA1TLR9ALOX15MAPTPTPRC
SCHEMBL254417 0.73 HTT (0.41) ALOX15ALDH1A1TSHRLMNA
SCHEMBL2884758 0.73 HSP90AA1 (0.39) HSP90AA1TLR9ALOX15PTPRCTDP1
SCHEMBL10750835 0.72 HSP90AA1 (0.35) HSP90AA1TLR9ALOX15PYCR1PTPRC
SCHEMBL11074726 0.72 CARM1 (0.33)
SCHEMBL1539492 0.72 HSP90AA1 (0.42) HSP90AA1TLR9ALOX15MAPTPTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ALTAVANT SCIENCES GMBH 2023-09-19 US disclosed
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2021-03-16 US disclosed
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ROIVANT SCIENCES GMBH (CH) 2020-07-30 US disclosed
US-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES, GmbH (CH) 2020-05-26 US disclosed
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2019-09-19 US disclosed
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2018-04-05 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 (6 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-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A HSP90AA1 584/4885TLR9 1962/4885ALOX15 565/4885
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A HSP90AA1 584/4885TLR9 1962/4885ALOX15 565/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A HSP90AA1 584/4885TLR9 1962/4885ALOX15 565/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A HSP90AA1 584/4885TLR9 1962/4885ALOX15 565/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A HSP90AA1 584/4885TLR9 1962/4885ALOX15 565/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A HSP90AA1 584/4885TLR9 1962/4885ALOX15 565/4885

“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.