SCHEMBL18701975

SCHEMBL18701975

CC(C)(C)C(=O)N1CCN(c2nnc(-c3ccccc3F)o2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
TP53 P04637 2/20 0.47
RAB9A P51151 4/20 0.46
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
BACE1 P56817 2/20 0.46
HTT P42858 3/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
PDK2 Q15119 1/20 0.43
NPC1 O15118 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
CNR1 P21554 1/20 0.40

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
SCHEMBL18702045 0.87 CNR2 (0.49) TP53RAB9ABCHEACHEBACE1
SCHEMBL18711781 0.87 BCHE (0.48) MAPTTP53RAB9ABCHEACHE
SCHEMBL18702042 0.81 SPR (0.50) MAPTTP53RAB9AHTTPDK2
SCHEMBL18702047 0.76 RAB9A (0.59) RAB9ABCHEACHEBACE1PDK2
SCHEMBL18702196 0.76 SPR (0.49) MAPTRAB9ABCHEACHEBACE1
SCHEMBL18701977 0.75 SPR (0.49) MAPTTP53RAB9ABCHEACHE
SCHEMBL18702034 0.73 SPR (0.52) MAPTRAB9ABCHEACHEBACE1
SCHEMBL18997524 0.73 SMN1; SMN2 (0.63) MAPTTP53HTTMEN1KMT2A
SCHEMBL18701979 0.72 SPR (0.41) MAPTTP53RAB9AHTTPDK2
SCHEMBL18702024 0.71 RAB9A (0.61) MAPTTP53RAB9AHTTHPGD

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 MAPT 3010/4885TP53 4530/4885RAB9A 4069/4885

“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.