SCHEMBL20161327

SCHEMBL20161327

NC(Cc1ccccc1F)c1cnccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PKM P14618 1/20 0.38
DPP4 P27487 4/20 0.38
TAAR1 Q96RJ0 1/20 0.37
TERT O14746 1/20 0.37
DPP8 Q6V1X1 1/20 0.36
CYP19A1 P11511 1/20 0.35
IDO1 P14902 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
KCNA5 P22460 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34

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
SCHEMBL3281088 0.77 KCNA5 (0.47) NPC1RAB9ADPP4DPP8CYP3A4
SCHEMBL3282116 0.74 DPP4 (0.66) RAB9ADPP4TAAR1DPP8CYP19A1
SCHEMBL20161464 0.74 TAAR1 (0.38) NPC1RAB9APKMDPP4TAAR1
SCHEMBL20139663 0.70 ROCK2 (0.39) TAAR1TERTCYP19A1IDO1CYP2D6
SCHEMBL12706272 0.70 TAAR1 (0.47) DPP4TAAR1IDO1CYP3A4CYP2D6
SCHEMBL3281177 0.70 DPP4 (0.47) DPP4TAAR1DPP8IDO1CYP3A4
SCHEMBL14478267 0.69 TAAR1 (0.50) TAAR1IDO1SLC6A2SLC6A4SLC6A3
SCHEMBL2563200 0.69 TAAR1 (0.50) TAAR1IDO1SLC6A2SLC6A4SLC6A3
SCHEMBL3238216 0.69 TAAR1 (0.50) TAAR1IDO1SLC6A2SLC6A4SLC6A3
SCHEMBL29687549 0.69 TAAR1 (0.50) TAAR1IDO1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12435080-B2 sGC stimulators TISENTO THERAPEUTICS INC. (US) 2025-10-07 US disclosed
US-20220017515-A1 sGC STIMULATORS TISENTO THERAPEUTICS INC. 2022-01-20 US disclosed
US-20220017515-A1 sGC STIMULATORS TISENTO THERAPEUTICS INC. 2022-01-20 US disclosed
US-11180493-B2 SGC stimulators CYCLERION THERAPEUTICS, INC. (US) 2021-11-23 US disclosed
US-11180493-B2 SGC stimulators CYCLERION THERAPEUTICS, INC. (US) 2021-11-23 US disclosed
US-20200071318-A1 SGC STIMULATORS TISENTO THERAPEUTICS INC. 2020-03-05 US disclosed
US-20200071318-A1 SGC STIMULATORS TISENTO THERAPEUTICS INC. 2020-03-05 US disclosed
WO-2018089330-A2 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2018-05-17 WO 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 (4 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-20200071318-A1 SGC STIMULATORS GUCY1A2, GMPS, PDE2A NPC1 2842/4885RAB9A 1357/4885PKM 1415/4885
US-20220017515-A1 sGC STIMULATORS GUCY1A2, PRKG1, PDE2A NPC1 2835/4885RAB9A 1378/4885PKM 1427/4885
US-12435080-B2 sGC stimulators GUCY1A2, PRKG1, PDE2A NPC1 2835/4885RAB9A 1378/4885PKM 1427/4885
US-11180493-B2 SGC stimulators GUCY1A2, GMPS, PDE2A NPC1 2842/4885RAB9A 1357/4885PKM 1415/4885

“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.