SCHEMBL20007069

SCHEMBL20007069

CC(C)C1CCN(Cc2ccncn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKZF2 Q9UKS7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CXCR4 P61073 2/20 0.37
HRH1 P35367 1/20 0.37
KDM4E B2RXH2 3/20 0.37
CYP2D6 P10635 2/20 0.37
POLB P06746 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
ACHE P22303 1/20 0.35
ALDH1A1 P00352 2/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
OPRM1 P35372 1/20 0.34
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
DRD2 P14416 1/20 0.33
HPGD P15428 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
SCHEMBL9976592 0.81 L3MBTL1 (0.58) L3MBTL1HRH1KDM4ECYP2D6POLB
SCHEMBL17289037 0.81 HRH1 (0.44) IKZF2L3MBTL1CXCR4HRH1KDM4E
SCHEMBL17698971 0.80 IKZF2 (0.41) IKZF2L3MBTL1HRH1KDM4ECYP2C19
SCHEMBL20466387 0.79 HRH3 (0.46) CXCR4HRH1KDM4EALDH1A1TDP1
SCHEMBL8223850 0.78 KDM4E (0.48) KDM4ECYP2D6ACHEALDH1A1CYP3A4
SCHEMBL803399 0.78 KDM4E (0.40) IKZF2L3MBTL1CXCR4HRH1KDM4E
SCHEMBL14980280 0.76 KDM4E (0.46) CXCR4HRH1KDM4ECYP2C19LMNA
SCHEMBL5962222 0.76 HRH3 (0.45) L3MBTL1HRH1KDM4ECYP2C19ALDH1A1
SCHEMBL24316056 0.75 ACHE (0.37) L3MBTL1CXCR4CYP2D6SMN1; SMN2ACHE
SCHEMBL21937412 0.74 CXCR4 (0.37) CXCR4

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-20180086736-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2018-03-29 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-20180086736-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA IKZF2 71/4885L3MBTL1 4638/4885CXCR4 181/4885

“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.