SCHEMBL17192148

SCHEMBL17192148

C[C@@H]1CCCc2c(Br)cccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 0.42
HRH3 Q9Y5N1 5/20 0.39
HRH2 P25021 2/20 0.39
HTR2C P28335 1/20 0.36
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL17192147 1.00 GID4 (0.42) GID4HRH3HRH2HTR2CDRD2
SCHEMBL12270073 1.00 GID4 (0.42) GID4HRH3HRH2HTR2CDRD2
SCHEMBL17969853 0.89 GID4 (0.45) GID4HTR2CDRD2DRD1DRD4
SCHEMBL29659736 0.81 ADRA2A (0.44) HRH3HRH2HTR2CALDH1A1
SCHEMBL598145 0.81 ADRA2A (0.44) HRH3HRH2HTR2CALDH1A1
SCHEMBL23854048 0.79 GID4 (0.44) GID4DRD2DRD1DRD4DRD5
SCHEMBL12434036 0.79 HRH3 (0.35) HRH3HRH2HTR2CALDH1A1
SCHEMBL12434029 0.79 HRH3 (0.35) HRH3HRH2HTR2CALDH1A1
SCHEMBL13616719 0.78 KMT2A (0.44) GID4DRD2DRD1DRD4DRD5
SCHEMBL13974016 0.78 KMT2A (0.44) GID4DRD2DRD1DRD4DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9481659-B2 Selective heterocyclic sphingosine 1 phosphate receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2016-11-01 US disclosed
US-20150299179-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS RECEPTOS, INC. (US) 2015-10-22 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-20150299179-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 GID4 1514/4885HRH3 328/4885HRH2 387/4885

“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.