SCHEMBL19710909

SCHEMBL19710909

CCC(C)c1cccc(N2CCN(C3COC3)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.43
POLB P06746 1/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 2/20 0.39
GFER P55789 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
USP9X Q93008 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
SCHEMBL17660576 0.87 NOTUM (0.47) RORCPOLBALDH1A1SMN1; SMN2KDM4E
SCHEMBL23709488 0.79 ADRA2C (0.54) ALDH1A1KDM4EGFERL3MBTL1TSHR
SCHEMBL19710843 0.79 TLR9 (0.41) MEN1KMT2A
SCHEMBL25524602 0.78 PRMT6 (0.49) ALDH1A1KDM4EGFERL3MBTL1TSHR
SCHEMBL23315793 0.77 DRD2 (0.40) ALDH1A1MEN1KMT2A
SCHEMBL17642836 0.76 ADRB1 (0.53) ALDH1A1TSHRNOTUM
SCHEMBL17630361 0.75 ADRA2C (0.56) ALDH1A1SMN1; SMN2GFERTSHRLMNA
SCHEMBL25965585 0.74 DHFR (0.44) ALDH1A1TSHRCYP2C9CYP2C19
SCHEMBL20457893 0.73 FFAR4 (0.44) ALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL16437212 0.72 GRIN2B (0.59) RORCALDH1A1KDM4EL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 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-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS PIK3R3, JAK2, JAK3 RORC 102/4885POLB 2011/4885ALDH1A1 3131/4885

“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.