SCHEMBL18702018

SCHEMBL18702018

CC(C)(C)C(=O)N1CCC(c2cccnc2F)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.47
SPR P35270 1/20 0.45
HSD11B1 P28845 3/20 0.44
KCNH2 Q12809 2/20 0.44
CYP2C9 P11712 1/20 0.44
SLC9A1 P19634 1/20 0.44
CYP2C19 P33261 1/20 0.44
RBP4 P02753 4/20 0.42
RPLP1 P05386 1/20 0.42
RPLP0 P05388 1/20 0.42
RPS17 P08708 1/20 0.42
RPSA P08865 1/20 0.42
RPS2 P15880 1/20 0.42
RPL35A P18077 1/20 0.42
RPL7 P18124 1/20 0.42
RPL17 P18621 1/20 0.42
RPS4Y1 P22090 1/20 0.42
RPS3 P23396 1/20 0.42
RPS12 P25398 1/20 0.42
RPL13 P26373 1/20 0.42

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
SCHEMBL3319484 0.85 KDM4E (0.48) SPR
SCHEMBL18702246 0.84 HSD11B1 (0.47) CYP3A4SPRHSD11B1KCNH2CYP2C9
SCHEMBL20835999 0.84 GPR119 (0.56) MEN1KMT2A
SCHEMBL23235688 0.83 HCAR2 (0.47) SPRKCNH2RBP4RPLP1RPLP0
Acetic Acid SCHEMBL29148501 0.81 GPR119 (0.53) MEN1KMT2A
SCHEMBL3320639 0.80 PDE10A (0.47) HSD11B1
SCHEMBL2457409 0.79 GPR119 (0.51)
SCHEMBL3319287 0.78 HCAR2 (0.46) SPRHSD11B1KCNH2RBP4RPLP1
SCHEMBL2460605 0.74 HCAR2 (0.48) CYP2C19HCAR2
SCHEMBL32162354 0.74 HCAR2 (0.48) CYP2C19HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9963462-B2 Sepiapterin reductase inhibitors MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2018-05-08 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 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-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR CYP3A4 436/4885SPR 1/4885HSD11B1 375/4885

“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.