SCHEMBL14196261

SCHEMBL14196261

CC(C)N(C)[C@H]1CCNC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 19/20 0.38
SLC6A2 P23975 18/20 0.38
SLC6A3 Q01959 9/20 0.38
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
CYP2D6 P10635 2/20 0.35
KCNH2 Q12809 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
SCHEMBL22215286 1.00 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3NOS3NOS1
SCHEMBL8434628 1.00 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3NOS3NOS1
Hydrochloric Acid SCHEMBL4841218 0.98 SLC6A2 (0.37) SLC6A4SLC6A2SLC6A3NOS3NOS1
SCHEMBL12362618 0.87 NOS2 (0.38) SLC6A4SLC6A2NOS3NOS1NOS2
SCHEMBL24242503 0.87 NOS2 (0.38) SLC6A4SLC6A2NOS3NOS1NOS2
SCHEMBL5646119 0.86 SLC6A2 (0.36) SLC6A4SLC6A2SLC6A3NOS3NOS1
Hydrochloric Acid SCHEMBL20362240 0.85 NOS2 (0.37) SLC6A4SLC6A2NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL28747733 0.84 SLC6A2 (0.35) SLC6A4SLC6A2SLC6A3NOS3NOS1
SCHEMBL13503192 0.80
SCHEMBL13503178 0.78 NOS3 (0.35) SLC6A4SLC6A2SLC6A3NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174518-A1 KRAS G12D PROTEIN INHIBITORS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2023-06-08 US disclosed
WO-2021215544-A1 KRAS G12D PROTEIN INHIBITORS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-10-28 WO disclosed
US-20080085884-A1 Melanin Concentrating Hormone Receptor-1 Antagonist Pyridinones PFIZER INC 2008-04-10 US disclosed
US-20080085884-A1 Melanin Concentrating Hormone Receptor-1 Antagonist Pyridinones PFIZER INC 2008-04-10 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 (2 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-20230174518-A1 KRAS G12D PROTEIN INHIBITORS KRAS, NRAS, HRAS SLC6A4 4720/4885SLC6A2 4755/4885SLC6A3 4622/4885
US-20080085884-A1 Melanin Concentrating Hormone Receptor-1 Antagonist Pyridinones MCHR1, MCHR2, MC1R SLC6A4 554/4885SLC6A2 343/4885SLC6A3 383/4885

“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.