SCHEMBL17546307

SCHEMBL17546307

CC1CCN(C(=O)C2CC(F)(F)C2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 1/20 0.43
ACHE P22303 1/20 0.42
HPGD P15428 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
TSHR P16473 2/20 0.39
TP53 P04637 2/20 0.38
USP2 O75604 2/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
CHRNB3 Q05901 1/20 0.37
CHRNA6 Q15825 1/20 0.37

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
SCHEMBL17546277 0.88 KMT2A (0.44) ALDH1A1KMT2AMEN1NPC1ACHE
SCHEMBL30333499 0.85 TSHR (0.42) ALDH1A1HPGDSMN1; SMN2TSHRHTT
SCHEMBL12436950 0.84 SMN1; SMN2 (0.40) ALDH1A1KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL19249293 0.82 CASP3 (0.38) ALDH1A1HPGDSMN1; SMN2TSHRHTT
SCHEMBL20981022 0.81 MAPT (0.42) ALDH1A1KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL23777057 0.81 KMT2A (0.44) ALDH1A1KMT2AMEN1NPC1ACHE
SCHEMBL10039301 0.80 HPGD (0.60) ALDH1A1KMT2AMEN1NPC1ACHE
SCHEMBL16812289 0.79 CHRNB2 (0.49) ALDH1A1KMT2AMEN1NPC1ACHE
SCHEMBL24480430 0.78 HPGD (0.58) ALDH1A1KMT2AMEN1NPC1ACHE
SCHEMBL30333943 0.78 DPP4 (0.41) ALDH1A1HPGDTSHR

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-20170233371-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2017-08-17 US disclosed
US-20160046597-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER (US) 2016-02-18 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-20160046597-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA ALDH1A1 576/4885KMT2A 1687/4885MEN1 3968/4885
US-20170233371-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA ALDH1A1 576/4885KMT2A 1687/4885MEN1 3968/4885

“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.