SCHEMBL18702245

SCHEMBL18702245

CC(C)(C)C(=O)N1CCC(c2cccc(F)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.47
DRD4 P21917 6/20 0.47
HTR1A P08908 5/20 0.47
KCNH2 Q12809 4/20 0.45
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
SPR P35270 1/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 1/20 0.42
SLC9A1 P19634 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
DRD3 P35462 1/20 0.41
RIPK1 Q13546 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38

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
SCHEMBL18701968 0.86 SPR (0.42) DRD2DRD4HTR1AKCNH2TP53
SCHEMBL18711739 0.85 HTR1A (0.49) DRD2DRD4HTR1AKCNH2SPR
SCHEMBL2878345 0.83 TRPV3 (0.53) DRD2DRD4HTR1AMAPTTRPV3
SCHEMBL29491422 0.83 TRPV3 (0.53) DRD2DRD4HTR1AMAPTTRPV3
SCHEMBL18701985 0.78 RIPK1 (0.56) DRD2DRD4HTR1AKCNH2TP53
SCHEMBL20744305 0.77
SCHEMBL23865578 0.76 HTR1A (0.48) DRD2DRD4HTR1AKCNH2SPR
SCHEMBL18701945 0.76 DRD2 (0.46) DRD2DRD4KCNH2SPRCYP3A4
SCHEMBL19652284 0.74 RIPK1 (0.61) DRD4KCNH2CYP3A4CYP2C9SLC9A1
SCHEMBL31419081 0.74 OPRM1 (0.47) DRD2DRD4HTR1AKCNH2SPR

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 DRD2 1811/4885DRD4 2136/4885HTR1A 959/4885

“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.