SCHEMBL17190664

SCHEMBL17190664

C[C@H]1CCCc2c(C#N)cccc21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
S1PR1 P21453 1/20 0.41
DRD2 P14416 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
PDE9A O76083 1/20 0.36
NOTUM Q6P988 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HTR2C P28335 1/20 0.34
AR P10275 2/20 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
SCHEMBL18137073 0.89 DRD2 (0.45) KMT2AS1PR1DRD2KDM4EALDH1A1
SCHEMBL1879606 0.79 KMT2A (0.61) KMT2AS1PR1DRD2KDM4EALDH1A1
SCHEMBL29741068 0.79 KMT2A (0.61) KMT2AS1PR1DRD2KDM4EALDH1A1
SCHEMBL1879002 0.79 KMT2A (0.61) KMT2AS1PR1DRD2KDM4EALDH1A1
SCHEMBL1872298 0.79 KMT2A (0.61) KMT2AS1PR1DRD2KDM4EALDH1A1
SCHEMBL29659736 0.78 ADRA2A (0.44) KMT2AALDH1A1HRH3SLC6A2SLC6A4
SCHEMBL598145 0.78 ADRA2A (0.44) KMT2AALDH1A1HRH3SLC6A2SLC6A4
SCHEMBL2730466 0.77 DRD2 (0.41) KMT2AS1PR1DRD2KDM4EALDH1A1
SCHEMBL12512127 0.76 KMT2A (0.40) KMT2AS1PR1DRD2KDM4EALDH1A1
SCHEMBL17192147 0.75 GID4 (0.42) DRD2ALDH1A1HRH3DRD1DRD4

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-9394264-B2 Sphingosine 1 phosphate receptor modulators and methods of chiral synthesis RECEPTOS, INC. (US) 2016-07-19 US disclosed
US-20150299150-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS LLC 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-20150299150-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS S1PR1, S1PR3, S1PR2 KMT2A 4293/4885S1PR1 1/4885DRD2 2627/4885

“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.