SCHEMBL19367692

SCHEMBL19367692

Cc1cc(C)c(N2PN(c3c(C)cc(C)cc3C)[C@H](c3ccccc3)[C@H]2c2ccccc2)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAOB P27338 1/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
DRD2 P14416 7/20 0.31
DRD4 P21917 5/20 0.31
LMNA P02545 2/20 0.31
DPP4 P27487 1/20 0.30
GAA P10253 1/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL14578492 0.75 SLC6A2 (0.36) CYP1A2CYP2A6SLC6A2SLC6A4SLC6A3
SCHEMBL10035307 0.75 SLC6A2 (0.36) CYP1A2CYP2A6SLC6A2SLC6A4SLC6A3
SCHEMBL10029425 0.75 ATM (0.34) CYP1A2CYP2A6SLC6A2SLC6A4SLC6A3
SCHEMBL18643566 0.75 SLC6A2 (0.36) CYP1A2CYP2A6SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL14777110 0.74 SLC6A2 (0.35) CYP1A2CYP2A6SLC6A2SLC6A4SLC6A3
SCHEMBL12691975 0.73 MAOB (0.31) CYP1A2CYP2A6SLC6A2SLC6A4SLC6A3
SCHEMBL19367689 0.72 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2NPSR1
SCHEMBL30475183 0.72 ALDH1A1 (0.33) CYP1A2CYP2A6SLC6A2SLC6A4SLC6A3
SCHEMBL19367687 0.72 CYP1A2 (0.32) CYP1A2CYP2A6SLC6A2SLC6A4SLC6A3
SCHEMBL2230476 0.71 ELANE (0.35) CYP1A2CYP2A6SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170267707-A1 Methods and Compositions for Substituted Alpha-Aminophosphonate Analogues THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2017-09-21 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-20170267707-A1 Methods and Compositions for Substituted Alpha-Aminophosphonate Analogues NPEPPS, AGPS, PHOSPHO1 CYP1A2 4206/4885CYP2A6 2929/4885SLC6A2 963/4885

“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.