SCHEMBL16009227

SCHEMBL16009227

COC(=O)CN1CCN(CCc2c(C)noc2C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
AR P10275 4/20 0.38
TSHR P16473 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 3/20 0.38
HTT P42858 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
STAT3 P40763 1/20 0.38
ALDH1A1 P00352 5/20 0.38
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 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
SCHEMBL14678562 0.85 SMN1; SMN2 (0.40) ARTSHRSMN1; SMN2MAPTHTT
SCHEMBL4182412 0.75 TDP1 (0.47) TSHRSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL14678033 0.73 AR (0.40) BRD4ARSMN1; SMN2ALDH1A1LMNA
SCHEMBL18255993 0.72 P2RX7 (0.49) HTTALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL16008619 0.72 TLR8 (0.43) BRD4ARCYP1A2CYP3A4ALDH1A1
SCHEMBL70778 0.71 TSHR (0.46) TSHRSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL12379861 0.71 TSHR (0.46) TSHRSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL1133592 0.71
SCHEMBL31317354 0.68 ALDH1A1 (0.45) SMN1; SMN2MAPTALDH1A1LMNAKDM4E
SCHEMBL2663549 0.68 SIGMAR1 (0.45) TSHRSMN1; SMN2ALDH1A1LMNAKDM4E

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-20140256740-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2014-09-11 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-20140256740-A1 COMPOUNDS AND METHODS RORC, RORB, RORA BRD4 524/4885AR 258/4885TSHR 288/4885

“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.