SCHEMBL18701977

SCHEMBL18701977

CC(C)(C)C(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)o2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.49
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
ACHE P22303 2/20 0.45
BACE1 P56817 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
IDE P14735 1/20 0.45
TP53 P04637 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NOTUM Q6P988 1/20 0.43
DGAT1 O75907 1/20 0.43
CNR1 P21554 1/20 0.43

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
SCHEMBL18711786 0.87 SPR (0.51) SPRNPC1RAB9AACHEBACE1
SCHEMBL18702047 0.86 RAB9A (0.59) SPRNPC1RAB9AACHEBACE1
SCHEMBL18702284 0.82 SPR (0.51) SPRNPC1RAB9AMEN1KMT2A
SCHEMBL18702196 0.81 SPR (0.49) SPRNPC1RAB9AACHEBACE1
SCHEMBL18702045 0.81 CNR2 (0.49) SPRNPC1RAB9AACHEBACE1
SCHEMBL10144122 0.75 HTR1A (0.66) RAB9AMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL18701975 0.75 MAPT (0.47) NPC1RAB9AACHEBACE1MEN1
SCHEMBL18711352 0.72 RAB9A (0.63) SPRNPC1RAB9AACHEBACE1
SCHEMBL18702281 0.72 RAB9A (0.62) SPRNPC1RAB9AMEN1KMT2A
SCHEMBL18711951 0.72 SPR (0.49) SPRNPC1RAB9AMEN1KMT2A

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 SPR 1/4885NPC1 2977/4885RAB9A 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.