SCHEMBL19958801

SCHEMBL19958801

COC(=O)CC[C@@H]1CCCN1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
EPHX2 P34913 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FDPS P14324 1/20 0.38
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL19965458 1.00 TSHR (0.41) TSHREPHX2SMN1; SMN2FDPSCHRNB4
SCHEMBL2492654 0.95 FDPS (0.44) TSHREPHX2SMN1; SMN2FDPS
Hydrochloric Acid SCHEMBL645074 0.93 FDPS (0.42) TSHREPHX2SMN1; SMN2FDPS
SCHEMBL29410746 0.88 TSHR (0.44) TSHREPHX2SMN1; SMN2
SCHEMBL3441726 0.85 TSHR (0.44) TSHREPHX2SMN1; SMN2FDPS
Hydrochloric Acid SCHEMBL699791 0.83 TSHR (0.42) TSHREPHX2SMN1; SMN2FDPS
SCHEMBL24740457 0.83 TDP1 (0.42) TSHRFDPS
SCHEMBL19958799 0.83 TDP1 (0.42) TSHRFDPS
SCHEMBL2044063 0.83 TDP1 (0.42) TSHRFDPS
SCHEMBL1584792 0.81 FDPS (0.40) TSHREPHX2FDPSCHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10246462-B2 Chemokine receptor modulators and uses thereof FLX BIO, INC. (US) 2019-04-02 US disclosed
WO-2018049271-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF FLX BIO, INC. (US) 2018-03-15 WO disclosed
US-20180072743-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF RAPT THERAPEUTICS, INC. 2018-03-15 US disclosed
US-20180072743-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF RAPT THERAPEUTICS, INC. 2018-03-15 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 (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-10246462-B2 Chemokine receptor modulators and uses thereof ACKR3, CCR5, CXCR3 TSHR 776/4885EPHX2 522/4885SMN1; SMN2 4865/4885
US-20180072743-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF ACKR3, CCR5, CXCR3 TSHR 776/4885EPHX2 522/4885SMN1; SMN2 4865/4885

“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.