SCHEMBL19935924

SCHEMBL19935924

CC(C)(C)NCc1cn[nH]c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.39
NAMPT P43490 6/20 0.37
KCNH2 Q12809 1/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
LMNA P02545 1/20 0.35
APEX1 P27695 1/20 0.35
PMP22 Q01453 1/20 0.35

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
SCHEMBL19001268 0.81 HRH4 (0.39) NOS2KCNH2CD274LMNAAPEX1
SCHEMBL21099036 0.78 HRH4 (0.44) NOS2NAMPTKCNH2CD274LMNA
SCHEMBL10233970 0.77
Hydrochloric Acid SCHEMBL28600173 0.75 LMNA (0.43) NOS2NAMPTKCNH2CD274LMNA
SCHEMBL12697598 0.73
SCHEMBL20233602 0.73 NAMPT (0.48) NOS2NAMPT
SCHEMBL24493159 0.72
SCHEMBL4762505 0.72 NOS2 (0.42) NOS2NAMPTKCNH2LMNAAPEX1
SCHEMBL27414689 0.72 NOS2 (0.46) NOS2NAMPTKCNH2LMNAAPEX1
Hydrochloric Acid SCHEMBL28771025 0.71 CYP3A4 (0.41) NOS2NAMPTKCNH2LMNAAPEX1

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-20230041761-A1 SMALL MOLECULE MODULATORS OF SIGMA-1 AND SIGMA-2 RECEPTORS AND USES THEREOF NORTHWESTERN UNIVERSITY 2023-02-09 US disclosed
US-10947237-B2 Antimicrobial compounds and methods of making and using the same BioVersys AG (CH) 2021-03-16 US disclosed
US-9914740-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-13 US disclosed
US-20180065966-A1 Antimicrobial Compounds And Methods Of Making And Using The Same MELINTA THERAPEUTICS, INC. 2018-03-08 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 (3 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-20180065966-A1 Antimicrobial Compounds And Methods Of Making And Using The Same LPO, MPO, CAT NOS2 188/4885NAMPT 542/4885KCNH2 3959/4885
US-20230041761-A1 SMALL MOLECULE MODULATORS OF SIGMA-1 AND SIGMA-2 RECEPTORS AND USES THEREOF SIGMAR1, TMEM97, OPRM1 NOS2 1135/4885NAMPT 3524/4885KCNH2 3044/4885
US-10947237-B2 Antimicrobial compounds and methods of making and using the same LPO, MPO, CAT NOS2 188/4885NAMPT 542/4885KCNH2 3959/4885

“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.